1-[2-(hydroxymethyl)cyclohexyl]benzimidazole-5-carboxylic acid

C15H18N2O3 — CID 106364026

IUPAC1-[2-(hydroxymethyl)cyclohexyl]benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)ncn2C1CCCCC1CO
InChIInChI=1S/C15H18N2O3/c18-8-11-3-1-2-4-13(11)17-9-16-12-7-10(15(19)20)5-6-14(12)17/h5-7,9,11,13,18H,1-4,8H2,(H,19,20)
InChIKeyZGSKWMRPGNNKNZ-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.46
Rot. Bonds3

About 1-[2-(hydroxymethyl)cyclohexyl]benzimidazole-5-carboxylic acid

1-[2-(hydroxymethyl)cyclohexyl]benzimidazole-5-carboxylic acid (PubChem CID 106364026) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)cyclohexyl]benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)cyclohexyl]benzimidazole-5-carboxylic acid
PubChem CID106364026
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name1-[2-(hydroxymethyl)cyclohexyl]benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)ncn2C1CCCCC1CO
InChIInChI=1S/C15H18N2O3/c18-8-11-3-1-2-4-13(11)17-9-16-12-7-10(15(19)20)5-6-14(12)17/h5-7,9,11,13,18H,1-4,8H2,(H,19,20)
InChIKeyZGSKWMRPGNNKNZ-UHFFFAOYSA-N
XLogP2.46
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dimethylcyclohexyl)benzimidazole-5-carboxylic acid
CID 63998776
1-(3-cyclopentylpropyl)benzimidazole-5-carboxylic acid
CID 106003508
1-(1,1-dioxothian-3-yl)benzimidazole-5-carboxylic acid
CID 63924349
1-(oxan-2-ylmethyl)benzimidazole-5-carboxylic acid
CID 54942703
1-(2-methylcyclohexyl)benzotriazole-5-carboxylic acid
CID 43187095
cyclopropyl-(1-cyclopropylbenzimidazol-5-yl)methanone
CID 82494686
3-(cyclobutylmethyl)benzimidazole-5-carboxylic acid
CID 82791377
3-(1-cyclopentylpiperidin-4-yl)benzimidazole-5-carboxylic acid
CID 68611173
N-cyclopentyl-1-methylbenzimidazole-5-carboxamide
CID 90980622
[(3R,4R)-3-(hydroxymethyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]-(1-methylbenzimidazol-5-yl)methanone
CID 70720608
N-benzyl-1-cyclopentyl-N-methylbenzimidazole-5-carboxamide
CID 3658169
1-morpholin-4-ylbenzimidazole-5-carboxylic acid
CID 83019703

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)cyclohexyl]benzimidazole-5-carboxylic acid?
The IUPAC name of 1-[2-(hydroxymethyl)cyclohexyl]benzimidazole-5-carboxylic acid (CID 106364026) is 1-[2-(hydroxymethyl)cyclohexyl]benzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-[2-(hydroxymethyl)cyclohexyl]benzimidazole-5-carboxylic acid?
The canonical SMILES for 1-[2-(hydroxymethyl)cyclohexyl]benzimidazole-5-carboxylic acid is O=C(O)c1ccc2c(c1)ncn2C1CCCCC1CO.
What is the InChIKey of 1-[2-(hydroxymethyl)cyclohexyl]benzimidazole-5-carboxylic acid?
The InChIKey is ZGSKWMRPGNNKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c18-8-11-3-1-2-4-13(11)17-9-16-12-7-10(15(19)20)5-6-14(12)17/h5-7,9,11,13,18H,1-4,8H2,(H,19,20).
What are the key properties of 1-[2-(hydroxymethyl)cyclohexyl]benzimidazole-5-carboxylic acid?
1-[2-(hydroxymethyl)cyclohexyl]benzimidazole-5-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)cyclohexyl]benzimidazole-5-carboxylic acid is sourced from PubChem (CID 106364026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).