2-(3H-benzimidazol-5-yl)-2-cyclohexylacetic acid

C15H18N2O2 — CID 82500032

IUPAC2-(3H-benzimidazol-5-yl)-2-cyclohexylacetic acid
SMILESO=C(O)C(c1ccc2nc[nH]c2c1)C1CCCCC1
InChIInChI=1S/C15H18N2O2/c18-15(19)14(10-4-2-1-3-5-10)11-6-7-12-13(8-11)17-9-16-12/h6-10,14H,1-5H2,(H,16,17)(H,18,19)
InChIKeyBXFUZLAPRMNNIN-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.31
Rot. Bonds3

About 2-(3H-benzimidazol-5-yl)-2-cyclohexylacetic acid

2-(3H-benzimidazol-5-yl)-2-cyclohexylacetic acid (PubChem CID 82500032) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(3H-benzimidazol-5-yl)-2-cyclohexylacetic acid.

Molecular Properties

Compound Name2-(3H-benzimidazol-5-yl)-2-cyclohexylacetic acid
PubChem CID82500032
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-(3H-benzimidazol-5-yl)-2-cyclohexylacetic acid
SMILESO=C(O)C(c1ccc2nc[nH]c2c1)C1CCCCC1
InChIInChI=1S/C15H18N2O2/c18-15(19)14(10-4-2-1-3-5-10)11-6-7-12-13(8-11)17-9-16-12/h6-10,14H,1-5H2,(H,16,17)(H,18,19)
InChIKeyBXFUZLAPRMNNIN-UHFFFAOYSA-N
XLogP3.31
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexyl-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetic acid
CID 82502145
2-(3H-benzimidazol-5-yl)-2-chloroacetic acid
CID 83533661
N-cycloheptyl-3H-benzimidazole-5-carboxamide
CID 27646859
2-[amino(3H-benzimidazol-5-yl)methyl]-3-methylbutanoic acid
CID 116945219
2-(3H-benzimidazol-5-yl)-2-(diaminomethylideneamino)acetic acid
CID 174481598
N-[3H-benzimidazol-5-yl(phenyl)methyl]cyclobutanecarboxamide
CID 47018726
1,3-bis(3H-benzimidazol-5-yl)-1,3-dibromopropan-2-one
CID 22163885
2-cyclopentyl-2-(1-ethylbenzimidazol-5-yl)acetic acid
CID 82502054
1-cyclohexyloxycarbonyloxyethyl 3H-benzimidazole-5-carboxylate
CID 67011476
2-[3H-benzimidazol-5-yl(methylamino)methyl]cyclopropane-1-carboxylic acid
CID 116953841
(2S)-2-(4-bromo-3-chlorophenyl)-2-cyclopentylacetic acid
CID 125466613
3-(3H-benzimidazol-5-yl)-3-pyrimidin-2-ylpropanoic acid
CID 116834074

Frequently Asked Questions

What is the IUPAC name of 2-(3H-benzimidazol-5-yl)-2-cyclohexylacetic acid?
The IUPAC name of 2-(3H-benzimidazol-5-yl)-2-cyclohexylacetic acid (CID 82500032) is 2-(3H-benzimidazol-5-yl)-2-cyclohexylacetic acid.
What is the SMILES notation for 2-(3H-benzimidazol-5-yl)-2-cyclohexylacetic acid?
The canonical SMILES for 2-(3H-benzimidazol-5-yl)-2-cyclohexylacetic acid is O=C(O)C(c1ccc2nc[nH]c2c1)C1CCCCC1.
What is the InChIKey of 2-(3H-benzimidazol-5-yl)-2-cyclohexylacetic acid?
The InChIKey is BXFUZLAPRMNNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c18-15(19)14(10-4-2-1-3-5-10)11-6-7-12-13(8-11)17-9-16-12/h6-10,14H,1-5H2,(H,16,17)(H,18,19).
What are the key properties of 2-(3H-benzimidazol-5-yl)-2-cyclohexylacetic acid?
2-(3H-benzimidazol-5-yl)-2-cyclohexylacetic acid has a molecular weight of 258.32 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-benzimidazol-5-yl)-2-cyclohexylacetic acid is sourced from PubChem (CID 82500032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).