1-cyclohexyl-2-(2-fluorophenyl)benzimidazole-5-carboxylic acid

C20H19FN2O2 — CID 153153541

IUPAC1-cyclohexyl-2-(2-fluorophenyl)benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(-c1ccccc1F)n2C1CCCCC1
InChIInChI=1S/C20H19FN2O2/c21-16-9-5-4-8-15(16)19-22-17-12-13(20(24)25)10-11-18(17)23(19)14-6-2-1-3-7-14/h4-5,8-12,14H,1-3,6-7H2,(H,24,25)
InChIKeyPCEZNUGRNHYEOR-UHFFFAOYSA-N
MW338.38 g/mol
LogP5.05
Rot. Bonds3

About 1-cyclohexyl-2-(2-fluorophenyl)benzimidazole-5-carboxylic acid

1-cyclohexyl-2-(2-fluorophenyl)benzimidazole-5-carboxylic acid (PubChem CID 153153541) has the molecular formula C20H19FN2O2 and a molecular weight of 338.38 g/mol. Its IUPAC name is 1-cyclohexyl-2-(2-fluorophenyl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-cyclohexyl-2-(2-fluorophenyl)benzimidazole-5-carboxylic acid
PubChem CID153153541
Molecular FormulaC20H19FN2O2
Molecular Weight338.38 g/mol
Exact Mass338.14
IUPAC Name1-cyclohexyl-2-(2-fluorophenyl)benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(-c1ccccc1F)n2C1CCCCC1
InChIInChI=1S/C20H19FN2O2/c21-16-9-5-4-8-15(16)19-22-17-12-13(20(24)25)10-11-18(17)23(19)14-6-2-1-3-7-14/h4-5,8-12,14H,1-3,6-7H2,(H,24,25)
InChIKeyPCEZNUGRNHYEOR-UHFFFAOYSA-N
XLogP5.05
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.38
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-2-(3-fluorophenyl)benzimidazole-5-carboxylic acid
CID 23515701
2-(4-chlorophenyl)-1-cyclopentylbenzimidazole-5-carboxylic acid
CID 23516040
1-cyclohexyl-2-[4-(dipyridin-3-ylmethoxy)-2-fluorophenyl]benzimidazole-5-carboxylic acid
CID 15956785
1-cyclopentyl-2-(3-hydroxyphenyl)benzimidazole-5-carboxylic acid
CID 23515705
2-(3-carboxy-4-hydroxyphenyl)-1-cyclopentylbenzimidazole-5-carboxylic acid
CID 135730670
1-cyclohexyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)benzimidazole-5-carboxylic acid
CID 68925913
1-cyclopentyl-2-(2,3,4-trifluorophenyl)benzimidazole-5-carboxamide
CID 23515639
2-[2-(2-bromophenyl)-4-methylquinolin-6-yl]-1-cyclohexylbenzimidazole-5-carboxylic acid
CID 5276090
1-cyclopentyl-2-(3-phenylmethoxyphenyl)benzimidazole-5-carboxylic acid
CID 23515913
1-cyclohexyl-2-(8-methyl-2-phenylquinolin-6-yl)benzimidazole-5-carboxylic acid
CID 5276020
1-cyclohexyl-2-(2-phenyl-1,2,3,4-tetrahydroquinolin-6-yl)benzimidazole-5-carboxylic acid
CID 5275976
1-cyclohexyl-2-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]phenyl]benzimidazole-5-carboxylic acid;ethane
CID 142073991

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(2-fluorophenyl)benzimidazole-5-carboxylic acid?
The IUPAC name of 1-cyclohexyl-2-(2-fluorophenyl)benzimidazole-5-carboxylic acid (CID 153153541) is 1-cyclohexyl-2-(2-fluorophenyl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-cyclohexyl-2-(2-fluorophenyl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 1-cyclohexyl-2-(2-fluorophenyl)benzimidazole-5-carboxylic acid is O=C(O)c1ccc2c(c1)nc(-c1ccccc1F)n2C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(2-fluorophenyl)benzimidazole-5-carboxylic acid?
The InChIKey is PCEZNUGRNHYEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2/c21-16-9-5-4-8-15(16)19-22-17-12-13(20(24)25)10-11-18(17)23(19)14-6-2-1-3-7-14/h4-5,8-12,14H,1-3,6-7H2,(H,24,25).
What are the key properties of 1-cyclohexyl-2-(2-fluorophenyl)benzimidazole-5-carboxylic acid?
1-cyclohexyl-2-(2-fluorophenyl)benzimidazole-5-carboxylic acid has a molecular weight of 338.38 g/mol, XLogP of 5.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(2-fluorophenyl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 153153541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).