2-(6-methyl-1H-benzimidazol-2-yl)cyclohexane-1-carboxylic acid

C15H18N2O2 — CID 43379455

IUPAC2-(6-methyl-1H-benzimidazol-2-yl)cyclohexane-1-carboxylic acid
SMILESCc1ccc2nc(C3CCCCC3C(=O)O)[nH]c2c1
InChIInChI=1S/C15H18N2O2/c1-9-6-7-12-13(8-9)17-14(16-12)10-4-2-3-5-11(10)15(18)19/h6-8,10-11H,2-5H2,1H3,(H,16,17)(H,18,19)
InChIKeyLZDCKUKABQTDKJ-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.23
Rot. Bonds2

About 2-(6-methyl-1H-benzimidazol-2-yl)cyclohexane-1-carboxylic acid

2-(6-methyl-1H-benzimidazol-2-yl)cyclohexane-1-carboxylic acid (PubChem CID 43379455) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(6-methyl-1H-benzimidazol-2-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(6-methyl-1H-benzimidazol-2-yl)cyclohexane-1-carboxylic acid
PubChem CID43379455
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-(6-methyl-1H-benzimidazol-2-yl)cyclohexane-1-carboxylic acid
SMILESCc1ccc2nc(C3CCCCC3C(=O)O)[nH]c2c1
InChIInChI=1S/C15H18N2O2/c1-9-6-7-12-13(8-9)17-14(16-12)10-4-2-3-5-11(10)15(18)19/h6-8,10-11H,2-5H2,1H3,(H,16,17)(H,18,19)
InChIKeyLZDCKUKABQTDKJ-UHFFFAOYSA-N
XLogP3.23
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-fluoro-1H-benzimidazol-2-yl)cyclohexane-1-carboxylic acid
CID 60785476
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]cyclobutane-1-carboxylic acid
CID 80997558
trans-(1R,2R)-2-(4-methylphenyl)cyclohexane-1-carboxylic acid
CID 54256967
2-(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)cyclohexane-1-carboxylic acid
CID 79820848
[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-piperidin-1-ylmethanone
CID 1452977
cis-(1S,3R)-2,2-dimethyl-3-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 122065924
3-[(2S)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propanoic acid
CID 95725718
2-(1-ethyl-5-methylbenzimidazol-2-yl)cyclohexane-1-carboxylic acid
CID 60784348
2-(1H-imidazo[4,5-b]pyridin-2-yl)cyclopentane-1-carboxylic acid
CID 103979455
1-(6-methyl-1H-benzimidazol-2-yl)piperidine-4-carboxylic acid
CID 3556705
2,2-dimethyl-1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 1430418
1-[3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-methylsulfanylethanone
CID 47091224

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-1H-benzimidazol-2-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(6-methyl-1H-benzimidazol-2-yl)cyclohexane-1-carboxylic acid (CID 43379455) is 2-(6-methyl-1H-benzimidazol-2-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(6-methyl-1H-benzimidazol-2-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(6-methyl-1H-benzimidazol-2-yl)cyclohexane-1-carboxylic acid is Cc1ccc2nc(C3CCCCC3C(=O)O)[nH]c2c1.
What is the InChIKey of 2-(6-methyl-1H-benzimidazol-2-yl)cyclohexane-1-carboxylic acid?
The InChIKey is LZDCKUKABQTDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-9-6-7-12-13(8-9)17-14(16-12)10-4-2-3-5-11(10)15(18)19/h6-8,10-11H,2-5H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-(6-methyl-1H-benzimidazol-2-yl)cyclohexane-1-carboxylic acid?
2-(6-methyl-1H-benzimidazol-2-yl)cyclohexane-1-carboxylic acid has a molecular weight of 258.32 g/mol, XLogP of 3.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-1H-benzimidazol-2-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 43379455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).