2-[4-(1-cyclopentyl-3-methyl-2-oxobenzimidazol-5-yl)-5-(3-methylphenyl)pyrazol-1-yl]acetic acid

C25H26N4O3 — CID 23581511

IUPAC2-[4-(1-cyclopentyl-3-methyl-2-oxobenzimidazol-5-yl)-5-(3-methylphenyl)pyrazol-1-yl]acetic acid
SMILESCc1cccc(-c2c(-c3ccc4c(c3)n(C)c(=O)n4C3CCCC3)cnn2CC(=O)O)c1
InChIInChI=1S/C25H26N4O3/c1-16-6-5-7-18(12-16)24-20(14-26-28(24)15-23(30)31)17-10-11-21-22(13-17)27(2)25(32)29(21)19-8-3-4-9-19/h5-7,10-14,19H,3-4,8-9,15H2,1-2H3,(H,30,31)
InChIKeyLYCAYWOACCCVFK-UHFFFAOYSA-N
MW430.51 g/mol
LogP4.38
Rot. Bonds5

About 2-[4-(1-cyclopentyl-3-methyl-2-oxobenzimidazol-5-yl)-5-(3-methylphenyl)pyrazol-1-yl]acetic acid

2-[4-(1-cyclopentyl-3-methyl-2-oxobenzimidazol-5-yl)-5-(3-methylphenyl)pyrazol-1-yl]acetic acid (PubChem CID 23581511) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is 2-[4-(1-cyclopentyl-3-methyl-2-oxobenzimidazol-5-yl)-5-(3-methylphenyl)pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(1-cyclopentyl-3-methyl-2-oxobenzimidazol-5-yl)-5-(3-methylphenyl)pyrazol-1-yl]acetic acid
PubChem CID23581511
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Name2-[4-(1-cyclopentyl-3-methyl-2-oxobenzimidazol-5-yl)-5-(3-methylphenyl)pyrazol-1-yl]acetic acid
SMILESCc1cccc(-c2c(-c3ccc4c(c3)n(C)c(=O)n4C3CCCC3)cnn2CC(=O)O)c1
InChIInChI=1S/C25H26N4O3/c1-16-6-5-7-18(12-16)24-20(14-26-28(24)15-23(30)31)17-10-11-21-22(13-17)27(2)25(32)29(21)19-8-3-4-9-19/h5-7,10-14,19H,3-4,8-9,15H2,1-2H3,(H,30,31)
InChIKeyLYCAYWOACCCVFK-UHFFFAOYSA-N
XLogP4.38
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(1-cyclobutyl-3-methyl-2-oxobenzimidazol-5-yl)-1-methyl-3-(3-methylphenyl)pyrazol-5-yl]acetamide
CID 23581737
1-cyclopentyl-3-methyl-5-[4-(3-methylphenyl)-2-pyridin-3-yl-1H-imidazol-5-yl]benzimidazol-2-one
CID 23581461
1-cyclohexyl-3-methyl-5-[4-(3-methylphenyl)-2-piperidin-4-yl-1H-imidazol-5-yl]benzimidazol-2-one
CID 23581450
N-[4-(1-cyclopentyl-3-methyl-2-oxobenzimidazol-5-yl)-3-(3-methylphenyl)-1,2-oxazol-5-yl]-N-methylsulfonylmethanesulfonamide
CID 23581741
1-cyclopentyl-5-[3-[2-(dimethylamino)ethylamino]-5-(3-methylphenyl)-1H-pyrazol-4-yl]-3-methylbenzimidazol-2-one
CID 23581471
6-[1-(2,2-dihydroxypropyl)-5-(3-methylphenyl)pyrazol-4-yl]-3-methyl-1H-benzimidazol-2-one
CID 142168649
2-[4-(1-cyclopentyl-3-ethyl-2-oxobenzimidazol-5-yl)-3-(3-methylphenyl)pyrazol-1-yl]-N-[2-(dimethylamino)ethyl]acetamide
CID 23581508
5-[2-amino-4-(3-chlorophenyl)-1H-imidazol-5-yl]-1-cyclopentyl-3-methylbenzimidazol-2-one;hydrochloride
CID 22063817
1,3-diethyl-5-[1-[2-(2-methoxyethylamino)ethyl]-5-(3-methylphenyl)pyrazol-4-yl]benzimidazol-2-one
CID 22063802
2-(5,8-dimethyl-4-oxopyrazolo[4,5-c]quinolin-1-yl)acetic acid
CID 59004239
3-methyl-5-(2-methylphenyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)benzimidazol-2-one
CID 56656263
2-[5-amino-4-(1,3-diethyl-2-oxobenzimidazol-5-yl)-3-(3-methylphenyl)pyrazol-1-yl]acetic acid
CID 22063829

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-cyclopentyl-3-methyl-2-oxobenzimidazol-5-yl)-5-(3-methylphenyl)pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-(1-cyclopentyl-3-methyl-2-oxobenzimidazol-5-yl)-5-(3-methylphenyl)pyrazol-1-yl]acetic acid (CID 23581511) is 2-[4-(1-cyclopentyl-3-methyl-2-oxobenzimidazol-5-yl)-5-(3-methylphenyl)pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(1-cyclopentyl-3-methyl-2-oxobenzimidazol-5-yl)-5-(3-methylphenyl)pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(1-cyclopentyl-3-methyl-2-oxobenzimidazol-5-yl)-5-(3-methylphenyl)pyrazol-1-yl]acetic acid is Cc1cccc(-c2c(-c3ccc4c(c3)n(C)c(=O)n4C3CCCC3)cnn2CC(=O)O)c1.
What is the InChIKey of 2-[4-(1-cyclopentyl-3-methyl-2-oxobenzimidazol-5-yl)-5-(3-methylphenyl)pyrazol-1-yl]acetic acid?
The InChIKey is LYCAYWOACCCVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-16-6-5-7-18(12-16)24-20(14-26-28(24)15-23(30)31)17-10-11-21-22(13-17)27(2)25(32)29(21)19-8-3-4-9-19/h5-7,10-14,19H,3-4,8-9,15H2,1-2H3,(H,30,31).
What are the key properties of 2-[4-(1-cyclopentyl-3-methyl-2-oxobenzimidazol-5-yl)-5-(3-methylphenyl)pyrazol-1-yl]acetic acid?
2-[4-(1-cyclopentyl-3-methyl-2-oxobenzimidazol-5-yl)-5-(3-methylphenyl)pyrazol-1-yl]acetic acid has a molecular weight of 430.51 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-cyclopentyl-3-methyl-2-oxobenzimidazol-5-yl)-5-(3-methylphenyl)pyrazol-1-yl]acetic acid is sourced from PubChem (CID 23581511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).