1-cyclohexyl-2-(2-fluoro-4-hydroxyphenyl)benzimidazole-5-carboxylic acid

C20H19FN2O3 — CID 135421265

IUPAC1-cyclohexyl-2-(2-fluoro-4-hydroxyphenyl)benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(-c1ccc(O)cc1F)n2C1CCCCC1
InChIInChI=1S/C20H19FN2O3/c21-16-11-14(24)7-8-15(16)19-22-17-10-12(20(25)26)6-9-18(17)23(19)13-4-2-1-3-5-13/h6-11,13,24H,1-5H2,(H,25,26)
InChIKeyUZTQJKISZOMBJV-UHFFFAOYSA-N
MW354.38 g/mol
LogP4.75
Rot. Bonds3

About 1-cyclohexyl-2-(2-fluoro-4-hydroxyphenyl)benzimidazole-5-carboxylic acid

1-cyclohexyl-2-(2-fluoro-4-hydroxyphenyl)benzimidazole-5-carboxylic acid (PubChem CID 135421265) has the molecular formula C20H19FN2O3 and a molecular weight of 354.38 g/mol. Its IUPAC name is 1-cyclohexyl-2-(2-fluoro-4-hydroxyphenyl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-cyclohexyl-2-(2-fluoro-4-hydroxyphenyl)benzimidazole-5-carboxylic acid
PubChem CID135421265
Molecular FormulaC20H19FN2O3
Molecular Weight354.38 g/mol
Exact Mass354.14
IUPAC Name1-cyclohexyl-2-(2-fluoro-4-hydroxyphenyl)benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(-c1ccc(O)cc1F)n2C1CCCCC1
InChIInChI=1S/C20H19FN2O3/c21-16-11-14(24)7-8-15(16)19-22-17-10-12(20(25)26)6-9-18(17)23(19)13-4-2-1-3-5-13/h6-11,13,24H,1-5H2,(H,25,26)
InChIKeyUZTQJKISZOMBJV-UHFFFAOYSA-N
XLogP4.75
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-Isopropyl-1H-benzoimidazole-5-carboxylic acid
CID 4712703
2-(Benzoylamino)-1-(3-phenylpropyl)-1H-benzimidazole-5-carboxylic acid
CID 73755260
2-(4-fluorophenyl)-1H-1,3-benzodiazole-6-carboxylic acid
CID 17010630
2-Methyl-1-phenyl-1H-benzimidazole-5-carboxylic acid
CID 619926
1-Methyl-1H-benzimidazole-5-carboxylic acid
CID 4913063
(2e)-2-(3-Fluoranyl-4-Methoxy-Phenyl)imino-1-[[2-(Trifluoromethyl)phenyl]methyl]-3h-Benzimidazole-5-Carboxylic Acid
CID 25165666
2-(3,5-dimethyl-4-oxidanyl-phenyl)-1-[(1-ethanoylpiperidin-4-yl)methyl]-~{N}-methyl-benzimidazole-5-carboxamide
CID 145946097
1-Cyclohexylbenzodiazole-5-carboxylic acid
CID 513903
1-Phenyl-1H-benzoimidazole-5-carboxylic acid
CID 5328468
5-Substituted 1-Phenylbenzimidazole 41
CID 5328531
2-(4-methoxyphenylamino)-1-(2-(trifluoromethyl)benzyl)-1H-benzo[d]imidazole-5-carboxylic acid
CID 25164463
KSP Inhibitor, 4g
CID 25164869

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(2-fluoro-4-hydroxyphenyl)benzimidazole-5-carboxylic acid?
The IUPAC name of 1-cyclohexyl-2-(2-fluoro-4-hydroxyphenyl)benzimidazole-5-carboxylic acid (CID 135421265) is 1-cyclohexyl-2-(2-fluoro-4-hydroxyphenyl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-cyclohexyl-2-(2-fluoro-4-hydroxyphenyl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 1-cyclohexyl-2-(2-fluoro-4-hydroxyphenyl)benzimidazole-5-carboxylic acid is O=C(O)c1ccc2c(c1)nc(-c1ccc(O)cc1F)n2C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(2-fluoro-4-hydroxyphenyl)benzimidazole-5-carboxylic acid?
The InChIKey is UZTQJKISZOMBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O3/c21-16-11-14(24)7-8-15(16)19-22-17-10-12(20(25)26)6-9-18(17)23(19)13-4-2-1-3-5-13/h6-11,13,24H,1-5H2,(H,25,26).
What are the key properties of 1-cyclohexyl-2-(2-fluoro-4-hydroxyphenyl)benzimidazole-5-carboxylic acid?
1-cyclohexyl-2-(2-fluoro-4-hydroxyphenyl)benzimidazole-5-carboxylic acid has a molecular weight of 354.38 g/mol, XLogP of 4.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(2-fluoro-4-hydroxyphenyl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 135421265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).