4-[(4-hydroxy-1H-benzimidazol-2-yl)methyl]cyclohexane-1-carboxylic acid

C15H18N2O3 — CID 18732368

IUPAC4-[(4-hydroxy-1H-benzimidazol-2-yl)methyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(Cc2nc3c(O)cccc3[nH]2)CC1
InChIInChI=1S/C15H18N2O3/c18-12-3-1-2-11-14(12)17-13(16-11)8-9-4-6-10(7-5-9)15(19)20/h1-3,9-10,18H,4-8H2,(H,16,17)(H,19,20)
InChIKeyUMMLXUDXWAWZPQ-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.70
Rot. Bonds3

About 4-[(4-hydroxy-1H-benzimidazol-2-yl)methyl]cyclohexane-1-carboxylic acid

4-[(4-hydroxy-1H-benzimidazol-2-yl)methyl]cyclohexane-1-carboxylic acid (PubChem CID 18732368) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-[(4-hydroxy-1H-benzimidazol-2-yl)methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(4-hydroxy-1H-benzimidazol-2-yl)methyl]cyclohexane-1-carboxylic acid
PubChem CID18732368
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name4-[(4-hydroxy-1H-benzimidazol-2-yl)methyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(Cc2nc3c(O)cccc3[nH]2)CC1
InChIInChI=1S/C15H18N2O3/c18-12-3-1-2-11-14(12)17-13(16-11)8-9-4-6-10(7-5-9)15(19)20/h1-3,9-10,18H,4-8H2,(H,16,17)(H,19,20)
InChIKeyUMMLXUDXWAWZPQ-UHFFFAOYSA-N
XLogP2.70
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1H-benzimidazol-2-ylmethyl)cyclohexane-1-carboxylic acid
CID 18378994
2-(thian-4-ylmethyl)-1H-benzimidazole-4-carboxylic acid
CID 83135925
4-chloro-2-(cycloheptylmethyl)-1H-benzimidazole
CID 114458303
2-(cyclopentylmethyl)-1H-benzimidazol-4-amine
CID 63691018
4-fluoro-2-(thian-4-ylmethyl)-1H-benzimidazole
CID 83135923
2-(cyclopropylmethyl)-4,5-difluoro-1H-benzimidazole
CID 112556693
N-[(4-chloro-1H-benzimidazol-2-yl)methyl]-1-cyclopropylmethanamine
CID 60787932
2-[1-[(2-hydroxyphenyl)methyl]-3-[(4-methoxy-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]acetic acid
CID 162875721
4-(1H-benzimidazol-2-ylmethyl)piperidine-1-carboxylic acid
CID 67434741
1-[(4-bromo-1H-benzimidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 167767414
[2-(2-bicyclo[2.2.1]heptanylmethyl)-1H-benzimidazol-4-yl]methanamine
CID 104721320
2-(4-hydroxy-1H-benzimidazol-2-yl)-2-oxoacetaldehyde
CID 76845899

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxy-1H-benzimidazol-2-yl)methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(4-hydroxy-1H-benzimidazol-2-yl)methyl]cyclohexane-1-carboxylic acid (CID 18732368) is 4-[(4-hydroxy-1H-benzimidazol-2-yl)methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(4-hydroxy-1H-benzimidazol-2-yl)methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(4-hydroxy-1H-benzimidazol-2-yl)methyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(Cc2nc3c(O)cccc3[nH]2)CC1.
What is the InChIKey of 4-[(4-hydroxy-1H-benzimidazol-2-yl)methyl]cyclohexane-1-carboxylic acid?
The InChIKey is UMMLXUDXWAWZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c18-12-3-1-2-11-14(12)17-13(16-11)8-9-4-6-10(7-5-9)15(19)20/h1-3,9-10,18H,4-8H2,(H,16,17)(H,19,20).
What are the key properties of 4-[(4-hydroxy-1H-benzimidazol-2-yl)methyl]cyclohexane-1-carboxylic acid?
4-[(4-hydroxy-1H-benzimidazol-2-yl)methyl]cyclohexane-1-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 2.70, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxy-1H-benzimidazol-2-yl)methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 18732368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).