Name: Name:1-Isopropyl-2-(trifluoromethyl)-1h-benzimidazole-5-carboxylic acid
Brand: AABLOCKS
SKU: AA0030T0
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA0030T0

Chemical Name: 1-Isopropyl-2-(trifluoromethyl)-1h-benzimidazole-5-carboxylic acid

CAS Number: 306935-42-2

Molecular Formula: C12H11F3N2O2

Molecular Weight: 272.2231

MDL Number: MFCD01570675

SMILES: OC(=O)c1ccc2c(c1)nc(n2C(C)C)C(F)(F)F

Properties

Form: Solid

MP: 174-178

Complexity: 359

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 19

Hydrogen Bond Acceptor Count: 6

Hydrogen Bond Donor Count: 1

Isotope Atom Count: 0

Rotatable Bond Count: 2

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 2.6

Downstream Synthesis Route

306935-42-2

73918-56-6

4-bromophenethyl1-isopropyl-2-(trifluoromethyl)-1H-benzodimidazole-5-carboxylate

[1]Audubert,Clément;Lebel,Hélène[OrganicLetters,2017,vol.19,#16,p.4407-4410]

306935-42-2

530-62-1

C15H13F3N4O

[1]Boezio,AlessandroA.;Andrews,Kristin;Boezio,Christiane;Chu-Moyer,Margaret;Copeland,KatrinaW.;DiMauro,ErinF.;Foti,RobertS.;Fremeau,RobertT.;Gao,Hua;Geuns-Meyer,Stephanie;Graceffa,RussellF.;Gunaydin,Hakan;Huang,Hongbing;La,DanielS.;Ligutti,Joseph;Moyer,BryanD.;Peterson,EmilyA.;Yu,Violeta;Weiss,MatthewM.[BioorganicandMedicinalChemistryLetters,2018,vol.28,#11,p.2103-2108]

306935-42-2

C14H14F3N5O2S

[1]Boezio,AlessandroA.;Andrews,Kristin;Boezio,Christiane;Chu-Moyer,Margaret;Copeland,KatrinaW.;DiMauro,ErinF.;Foti,RobertS.;Fremeau,RobertT.;Gao,Hua;Geuns-Meyer,Stephanie;Graceffa,RussellF.;Gunaydin,Hakan;Huang,Hongbing;La,DanielS.;Ligutti,Joseph;Moyer,BryanD.;Peterson,EmilyA.;Yu,Violeta;Weiss,MatthewM.[BioorganicandMedicinalChemistryLetters,2018,vol.28,#11,p.2103-2108]

306935-42-2

C14H14F3N5S

[1]Boezio,AlessandroA.;Andrews,Kristin;Boezio,Christiane;Chu-Moyer,Margaret;Copeland,KatrinaW.;DiMauro,ErinF.;Foti,RobertS.;Fremeau,RobertT.;Gao,Hua;Geuns-Meyer,Stephanie;Graceffa,RussellF.;Gunaydin,Hakan;Huang,Hongbing;La,DanielS.;Ligutti,Joseph;Moyer,BryanD.;Peterson,EmilyA.;Yu,Violeta;Weiss,MatthewM.[BioorganicandMedicinalChemistryLetters,2018,vol.28,#11,p.2103-2108]

306935-42-2

C13H12F3N5S

[1]Boezio,AlessandroA.;Andrews,Kristin;Boezio,Christiane;Chu-Moyer,Margaret;Copeland,KatrinaW.;DiMauro,ErinF.;Foti,RobertS.;Fremeau,RobertT.;Gao,Hua;Geuns-Meyer,Stephanie;Graceffa,RussellF.;Gunaydin,Hakan;Huang,Hongbing;La,DanielS.;Ligutti,Joseph;Moyer,BryanD.;Peterson,EmilyA.;Yu,Violeta;Weiss,MatthewM.[BioorganicandMedicinalChemistryLetters,2018,vol.28,#11,p.2103-2108]

306935-42-2 | 1-Isopropyl-2-(trifluoromethyl)-1h-benzimidazole-5-carboxylic acid