1-cyclopentyl-2-[4-[(4-methylphenyl)methoxy]phenyl]benzimidazole-5-carboxylic acid

C27H26N2O3 — CID 10137290

IUPAC1-cyclopentyl-2-[4-[(4-methylphenyl)methoxy]phenyl]benzimidazole-5-carboxylic acid
SMILESCc1ccc(COc2ccc(-c3nc4cc(C(=O)O)ccc4n3C3CCCC3)cc2)cc1
InChIInChI=1S/C27H26N2O3/c1-18-6-8-19(9-7-18)17-32-23-13-10-20(11-14-23)26-28-24-16-21(27(30)31)12-15-25(24)29(26)22-4-2-3-5-22/h6-16,22H,2-5,17H2,1H3,(H,30,31)
InChIKeyAGYHKDNHRQUDFM-UHFFFAOYSA-N
MW426.52 g/mol
LogP6.40
Rot. Bonds6

About 1-cyclopentyl-2-[4-[(4-methylphenyl)methoxy]phenyl]benzimidazole-5-carboxylic acid

1-cyclopentyl-2-[4-[(4-methylphenyl)methoxy]phenyl]benzimidazole-5-carboxylic acid (PubChem CID 10137290) has the molecular formula C27H26N2O3 and a molecular weight of 426.52 g/mol. Its IUPAC name is 1-cyclopentyl-2-[4-[(4-methylphenyl)methoxy]phenyl]benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-cyclopentyl-2-[4-[(4-methylphenyl)methoxy]phenyl]benzimidazole-5-carboxylic acid
PubChem CID10137290
Molecular FormulaC27H26N2O3
Molecular Weight426.52 g/mol
Exact Mass426.19
IUPAC Name1-cyclopentyl-2-[4-[(4-methylphenyl)methoxy]phenyl]benzimidazole-5-carboxylic acid
SMILESCc1ccc(COc2ccc(-c3nc4cc(C(=O)O)ccc4n3C3CCCC3)cc2)cc1
InChIInChI=1S/C27H26N2O3/c1-18-6-8-19(9-7-18)17-32-23-13-10-20(11-14-23)26-28-24-16-21(27(30)31)12-15-25(24)29(26)22-4-2-3-5-22/h6-16,22H,2-5,17H2,1H3,(H,30,31)
InChIKeyAGYHKDNHRQUDFM-UHFFFAOYSA-N
XLogP6.40
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.52
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[4-[(4-methylphenyl)methoxy]phenyl]benzimidazole-5-carboxylic acid?
The IUPAC name of 1-cyclopentyl-2-[4-[(4-methylphenyl)methoxy]phenyl]benzimidazole-5-carboxylic acid (CID 10137290) is 1-cyclopentyl-2-[4-[(4-methylphenyl)methoxy]phenyl]benzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-cyclopentyl-2-[4-[(4-methylphenyl)methoxy]phenyl]benzimidazole-5-carboxylic acid?
The canonical SMILES for 1-cyclopentyl-2-[4-[(4-methylphenyl)methoxy]phenyl]benzimidazole-5-carboxylic acid is Cc1ccc(COc2ccc(-c3nc4cc(C(=O)O)ccc4n3C3CCCC3)cc2)cc1.
What is the InChIKey of 1-cyclopentyl-2-[4-[(4-methylphenyl)methoxy]phenyl]benzimidazole-5-carboxylic acid?
The InChIKey is AGYHKDNHRQUDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O3/c1-18-6-8-19(9-7-18)17-32-23-13-10-20(11-14-23)26-28-24-16-21(27(30)31)12-15-25(24)29(26)22-4-2-3-5-22/h6-16,22H,2-5,17H2,1H3,(H,30,31).
What are the key properties of 1-cyclopentyl-2-[4-[(4-methylphenyl)methoxy]phenyl]benzimidazole-5-carboxylic acid?
1-cyclopentyl-2-[4-[(4-methylphenyl)methoxy]phenyl]benzimidazole-5-carboxylic acid has a molecular weight of 426.52 g/mol, XLogP of 6.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[4-[(4-methylphenyl)methoxy]phenyl]benzimidazole-5-carboxylic acid is sourced from PubChem (CID 10137290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).