1-(4-hydroxycyclohexyl)-2-methylbenzimidazole-4-carboxylic acid

C15H18N2O3 — CID 104966804

IUPAC1-(4-hydroxycyclohexyl)-2-methylbenzimidazole-4-carboxylic acid
SMILESCc1nc2c(C(=O)O)cccc2n1C1CCC(O)CC1
InChIInChI=1S/C15H18N2O3/c1-9-16-14-12(15(19)20)3-2-4-13(14)17(9)10-5-7-11(18)8-6-10/h2-4,10-11,18H,5-8H2,1H3,(H,19,20)
InChIKeyTXEOPEQGJSTLRV-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.52
Rot. Bonds2

About 1-(4-hydroxycyclohexyl)-2-methylbenzimidazole-4-carboxylic acid

1-(4-hydroxycyclohexyl)-2-methylbenzimidazole-4-carboxylic acid (PubChem CID 104966804) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-(4-hydroxycyclohexyl)-2-methylbenzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-hydroxycyclohexyl)-2-methylbenzimidazole-4-carboxylic acid
PubChem CID104966804
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name1-(4-hydroxycyclohexyl)-2-methylbenzimidazole-4-carboxylic acid
SMILESCc1nc2c(C(=O)O)cccc2n1C1CCC(O)CC1
InChIInChI=1S/C15H18N2O3/c1-9-16-14-12(15(19)20)3-2-4-13(14)17(9)10-5-7-11(18)8-6-10/h2-4,10-11,18H,5-8H2,1H3,(H,19,20)
InChIKeyTXEOPEQGJSTLRV-UHFFFAOYSA-N
XLogP2.52
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-1-cyclopropylbenzimidazole-4-carboxylic acid
CID 83842366
2-methyl-1-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazole-4-carboxylic acid
CID 106253144
1-cyclobutyl-2-cyclopropylbenzimidazole-4-carboxylic acid
CID 115543497
1-(2-cyclopropylethyl)-2-methylbenzimidazole-4-carboxylic acid
CID 113332313
2-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]benzimidazole-4-carboxylic acid
CID 115543164
2-methyl-1-[(2-methylcyclopentyl)methyl]benzimidazole-4-carboxylic acid
CID 107420058
1-(4-hydroxycyclohexyl)-2-oxo-3H-benzimidazole-4-carboxylic acid
CID 104966720
2-methyl-1-[(1-methylcyclopropyl)methyl]benzimidazole-4-carboxylic acid
CID 114101514
2-cyclopropyl-1-(1-methylpyrrolidin-3-yl)benzimidazole-4-carboxylic acid
CID 115543220
2-ethyl-3-(4-hydroxycyclohexyl)benzimidazole-4-carboxylic acid
CID 104966802
1-[(1-ethylpyrrolidin-3-yl)methyl]-2-methylbenzimidazole-4-carboxylic acid
CID 115543162
1-[(1,1-dioxothiolan-2-yl)methyl]-2-methylbenzimidazole-4-carboxylic acid
CID 115543950

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxycyclohexyl)-2-methylbenzimidazole-4-carboxylic acid?
The IUPAC name of 1-(4-hydroxycyclohexyl)-2-methylbenzimidazole-4-carboxylic acid (CID 104966804) is 1-(4-hydroxycyclohexyl)-2-methylbenzimidazole-4-carboxylic acid.
What is the SMILES notation for 1-(4-hydroxycyclohexyl)-2-methylbenzimidazole-4-carboxylic acid?
The canonical SMILES for 1-(4-hydroxycyclohexyl)-2-methylbenzimidazole-4-carboxylic acid is Cc1nc2c(C(=O)O)cccc2n1C1CCC(O)CC1.
What is the InChIKey of 1-(4-hydroxycyclohexyl)-2-methylbenzimidazole-4-carboxylic acid?
The InChIKey is TXEOPEQGJSTLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-9-16-14-12(15(19)20)3-2-4-13(14)17(9)10-5-7-11(18)8-6-10/h2-4,10-11,18H,5-8H2,1H3,(H,19,20).
What are the key properties of 1-(4-hydroxycyclohexyl)-2-methylbenzimidazole-4-carboxylic acid?
1-(4-hydroxycyclohexyl)-2-methylbenzimidazole-4-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxycyclohexyl)-2-methylbenzimidazole-4-carboxylic acid is sourced from PubChem (CID 104966804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).