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

C20H20N2O3 — CID 135477944

IUPAC1-cyclohexyl-2-(4-hydroxyphenyl)benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(-c1ccc(O)cc1)n2C1CCCCC1
InChIInChI=1S/C20H20N2O3/c23-16-9-6-13(7-10-16)19-21-17-12-14(20(24)25)8-11-18(17)22(19)15-4-2-1-3-5-15/h6-12,15,23H,1-5H2,(H,24,25)
InChIKeyRQCAGAAORMOANZ-UHFFFAOYSA-N
MW336.39 g/mol
LogP4.61
Rot. Bonds3

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

1-cyclohexyl-2-(4-hydroxyphenyl)benzimidazole-5-carboxylic acid (PubChem CID 135477944) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 1-cyclohexyl-2-(4-hydroxyphenyl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-cyclohexyl-2-(4-hydroxyphenyl)benzimidazole-5-carboxylic acid
PubChem CID135477944
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name1-cyclohexyl-2-(4-hydroxyphenyl)benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(-c1ccc(O)cc1)n2C1CCCCC1
InChIInChI=1S/C20H20N2O3/c23-16-9-6-13(7-10-16)19-21-17-12-14(20(24)25)8-11-18(17)22(19)15-4-2-1-3-5-15/h6-12,15,23H,1-5H2,(H,24,25)
InChIKeyRQCAGAAORMOANZ-UHFFFAOYSA-N
XLogP4.61
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Brd4770
CID 72193870
1-Isopropyl-1H-benzoimidazole-5-carboxylic acid
CID 4712703
2-(Benzoylamino)-1-(3-phenylpropyl)-1H-benzimidazole-5-carboxylic acid
CID 73755260
2-Methyl-1-phenyl-1H-benzimidazole-5-carboxylic acid
CID 619926
4-[Ethyl-[4-(3-methylbenzimidazole-5-carbonyl)piperidine-1-carbonyl]amino]benzoic acid
CID 146627023
Ketone, 1-(2-(diethylamino)ethyl)-2-(p-ethoxybenzyl)-5-benzimidazolyl methyl
CID 25957
Ethyl 1-ethyl-2-methyl-1H-benzimidazole-5-carboxylate
CID 690728
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

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(4-hydroxyphenyl)benzimidazole-5-carboxylic acid?
The IUPAC name of 1-cyclohexyl-2-(4-hydroxyphenyl)benzimidazole-5-carboxylic acid (CID 135477944) is 1-cyclohexyl-2-(4-hydroxyphenyl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-cyclohexyl-2-(4-hydroxyphenyl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 1-cyclohexyl-2-(4-hydroxyphenyl)benzimidazole-5-carboxylic acid is O=C(O)c1ccc2c(c1)nc(-c1ccc(O)cc1)n2C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(4-hydroxyphenyl)benzimidazole-5-carboxylic acid?
The InChIKey is RQCAGAAORMOANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c23-16-9-6-13(7-10-16)19-21-17-12-14(20(24)25)8-11-18(17)22(19)15-4-2-1-3-5-15/h6-12,15,23H,1-5H2,(H,24,25).
What are the key properties of 1-cyclohexyl-2-(4-hydroxyphenyl)benzimidazole-5-carboxylic acid?
1-cyclohexyl-2-(4-hydroxyphenyl)benzimidazole-5-carboxylic acid has a molecular weight of 336.39 g/mol, XLogP of 4.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(4-hydroxyphenyl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 135477944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).