1-(1-methylcyclopentyl)-2-oxo-3H-benzimidazole-5-carboxylic acid

C14H16N2O3 — CID 64689401

IUPAC1-(1-methylcyclopentyl)-2-oxo-3H-benzimidazole-5-carboxylic acid
SMILESCC1(n2c(=O)[nH]c3cc(C(=O)O)ccc32)CCCC1
InChIInChI=1S/C14H16N2O3/c1-14(6-2-3-7-14)16-11-5-4-9(12(17)18)8-10(11)15-13(16)19/h4-5,8H,2-3,6-7H2,1H3,(H,15,19)(H,17,18)
InChIKeyFXTBXINDAAAKRJ-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.32
Rot. Bonds2

About 1-(1-methylcyclopentyl)-2-oxo-3H-benzimidazole-5-carboxylic acid

1-(1-methylcyclopentyl)-2-oxo-3H-benzimidazole-5-carboxylic acid (PubChem CID 64689401) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 1-(1-methylcyclopentyl)-2-oxo-3H-benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-(1-methylcyclopentyl)-2-oxo-3H-benzimidazole-5-carboxylic acid
PubChem CID64689401
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name1-(1-methylcyclopentyl)-2-oxo-3H-benzimidazole-5-carboxylic acid
SMILESCC1(n2c(=O)[nH]c3cc(C(=O)O)ccc32)CCCC1
InChIInChI=1S/C14H16N2O3/c1-14(6-2-3-7-14)16-11-5-4-9(12(17)18)8-10(11)15-13(16)19/h4-5,8H,2-3,6-7H2,1H3,(H,15,19)(H,17,18)
InChIKeyFXTBXINDAAAKRJ-UHFFFAOYSA-N
XLogP2.32
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclopentyl)-2-oxo-3H-benzimidazole-5-carboxylic acid?
The IUPAC name of 1-(1-methylcyclopentyl)-2-oxo-3H-benzimidazole-5-carboxylic acid (CID 64689401) is 1-(1-methylcyclopentyl)-2-oxo-3H-benzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-(1-methylcyclopentyl)-2-oxo-3H-benzimidazole-5-carboxylic acid?
The canonical SMILES for 1-(1-methylcyclopentyl)-2-oxo-3H-benzimidazole-5-carboxylic acid is CC1(n2c(=O)[nH]c3cc(C(=O)O)ccc32)CCCC1.
What is the InChIKey of 1-(1-methylcyclopentyl)-2-oxo-3H-benzimidazole-5-carboxylic acid?
The InChIKey is FXTBXINDAAAKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-14(6-2-3-7-14)16-11-5-4-9(12(17)18)8-10(11)15-13(16)19/h4-5,8H,2-3,6-7H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 1-(1-methylcyclopentyl)-2-oxo-3H-benzimidazole-5-carboxylic acid?
1-(1-methylcyclopentyl)-2-oxo-3H-benzimidazole-5-carboxylic acid has a molecular weight of 260.29 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclopentyl)-2-oxo-3H-benzimidazole-5-carboxylic acid is sourced from PubChem (CID 64689401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).