1-[(2-hydroxycyclopentyl)methyl]benzimidazole-4-carboxylic acid

C14H16N2O3 — CID 115543820

IUPAC1-[(2-hydroxycyclopentyl)methyl]benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cccc2c1ncn2CC1CCCC1O
InChIInChI=1S/C14H16N2O3/c17-12-6-1-3-9(12)7-16-8-15-13-10(14(18)19)4-2-5-11(13)16/h2,4-5,8-9,12,17H,1,3,6-7H2,(H,18,19)
InChIKeyYWDKGMRCAMGUNY-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.90
Rot. Bonds3

About 1-[(2-hydroxycyclopentyl)methyl]benzimidazole-4-carboxylic acid

1-[(2-hydroxycyclopentyl)methyl]benzimidazole-4-carboxylic acid (PubChem CID 115543820) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 1-[(2-hydroxycyclopentyl)methyl]benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[(2-hydroxycyclopentyl)methyl]benzimidazole-4-carboxylic acid
PubChem CID115543820
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name1-[(2-hydroxycyclopentyl)methyl]benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cccc2c1ncn2CC1CCCC1O
InChIInChI=1S/C14H16N2O3/c17-12-6-1-3-9(12)7-16-8-15-13-10(14(18)19)4-2-5-11(13)16/h2,4-5,8-9,12,17H,1,3,6-7H2,(H,18,19)
InChIKeyYWDKGMRCAMGUNY-UHFFFAOYSA-N
XLogP1.90
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-(hydroxymethyl)cyclohexyl]methyl]benzimidazole-4-carboxylic acid
CID 115543824
1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazole-4-carboxylic acid
CID 114137775
1-[(1-methylcyclobutyl)methyl]benzimidazole-4-carboxylic acid
CID 114109191
1-(2,2-difluoroethyl)benzimidazole-4-carboxylic acid
CID 115543983
1-(5-amino-5-oxopentyl)benzimidazole-4-carboxylic acid
CID 114162760
1-(2-methyl-3-pyrrolidin-1-ylpropyl)benzimidazole-4-carboxylic acid
CID 115543574
2-methyl-1-[(2-methylcyclopentyl)methyl]benzimidazole-4-carboxylic acid
CID 107420058
1-[(3-methylphenyl)methyl]benzimidazole-4-carboxylic acid
CID 115543177
1-[(1-methylimidazol-2-yl)methyl]benzimidazole-4-carboxylic acid
CID 115543615
1-[(2-methylpyrimidin-4-yl)methyl]benzimidazole-4-carboxylic acid
CID 115543397
1-[(2-methyl-1,3-thiazol-5-yl)methyl]benzimidazole-4-carboxylic acid
CID 115543314
1-(1-methylpiperidin-3-yl)benzimidazole-4-carboxylic acid
CID 115543201

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxycyclopentyl)methyl]benzimidazole-4-carboxylic acid?
The IUPAC name of 1-[(2-hydroxycyclopentyl)methyl]benzimidazole-4-carboxylic acid (CID 115543820) is 1-[(2-hydroxycyclopentyl)methyl]benzimidazole-4-carboxylic acid.
What is the SMILES notation for 1-[(2-hydroxycyclopentyl)methyl]benzimidazole-4-carboxylic acid?
The canonical SMILES for 1-[(2-hydroxycyclopentyl)methyl]benzimidazole-4-carboxylic acid is O=C(O)c1cccc2c1ncn2CC1CCCC1O.
What is the InChIKey of 1-[(2-hydroxycyclopentyl)methyl]benzimidazole-4-carboxylic acid?
The InChIKey is YWDKGMRCAMGUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c17-12-6-1-3-9(12)7-16-8-15-13-10(14(18)19)4-2-5-11(13)16/h2,4-5,8-9,12,17H,1,3,6-7H2,(H,18,19).
What are the key properties of 1-[(2-hydroxycyclopentyl)methyl]benzimidazole-4-carboxylic acid?
1-[(2-hydroxycyclopentyl)methyl]benzimidazole-4-carboxylic acid has a molecular weight of 260.29 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxycyclopentyl)methyl]benzimidazole-4-carboxylic acid is sourced from PubChem (CID 115543820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).