2-(4-chlorophenyl)-2-[(2-oxo-3H-benzimidazole-1-carbonyl)amino]acetic acid

C16H12ClN3O4 — CID 21444852

IUPAC2-(4-chlorophenyl)-2-[(2-oxo-3H-benzimidazole-1-carbonyl)amino]acetic acid
SMILESO=C(O)C(NC(=O)n1c(=O)[nH]c2ccccc21)c1ccc(Cl)cc1
InChIInChI=1S/C16H12ClN3O4/c17-10-7-5-9(6-8-10)13(14(21)22)19-16(24)20-12-4-2-1-3-11(12)18-15(20)23/h1-8,13H,(H,18,23)(H,19,24)(H,21,22)
InChIKeyKIYTVZGRJLITKP-UHFFFAOYSA-N
MW345.74 g/mol
LogP2.37
Rot. Bonds3

About 2-(4-chlorophenyl)-2-[(2-oxo-3H-benzimidazole-1-carbonyl)amino]acetic acid

2-(4-chlorophenyl)-2-[(2-oxo-3H-benzimidazole-1-carbonyl)amino]acetic acid (PubChem CID 21444852) has the molecular formula C16H12ClN3O4 and a molecular weight of 345.74 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-[(2-oxo-3H-benzimidazole-1-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-[(2-oxo-3H-benzimidazole-1-carbonyl)amino]acetic acid
PubChem CID21444852
Molecular FormulaC16H12ClN3O4
Molecular Weight345.74 g/mol
Exact Mass345.05
IUPAC Name2-(4-chlorophenyl)-2-[(2-oxo-3H-benzimidazole-1-carbonyl)amino]acetic acid
SMILESO=C(O)C(NC(=O)n1c(=O)[nH]c2ccccc21)c1ccc(Cl)cc1
InChIInChI=1S/C16H12ClN3O4/c17-10-7-5-9(6-8-10)13(14(21)22)19-16(24)20-12-4-2-1-3-11(12)18-15(20)23/h1-8,13H,(H,18,23)(H,19,24)(H,21,22)
InChIKeyKIYTVZGRJLITKP-UHFFFAOYSA-N
XLogP2.37
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.74
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(4-chlorophenyl)-2-[(2-oxo-3H-benzimidazole-1-carbonyl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-oxo-3H-benzimidazole-1-carboxamide;hydrochloride
CID 68841950
(2S)-2-[[(2R)-2-(2,4-dioxo-1H-quinazolin-3-yl)propanoyl]amino]-2-phenylacetic acid
CID 51428003
(2R)-2-(4-chlorophenyl)-2-(4-fluoroanilino)acetic acid
CID 7152583
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-phenylacetic acid
CID 103257236
3-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-one
CID 4681038
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-3H-benzimidazole-1-carboxamide
CID 14762870
2-[[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]butanoic acid
CID 119223469
2-(4-chlorophenyl)-2-(2-fluoroanilino)acetic acid
CID 2757785
(2S)-2-[(5-chloro-2-methylbenzoyl)amino]-2-phenylacetic acid
CID 104896991
(2S)-2-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]-2-phenylacetic acid
CID 108808855
(2R)-2-[(5-chloro-2-iodobenzoyl)amino]-2-phenylacetic acid
CID 103804402
(2R)-2-(4-chlorophenyl)-2-(2-methoxyanilino)acetic acid
CID 7148168

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-[(2-oxo-3H-benzimidazole-1-carbonyl)amino]acetic acid?
The IUPAC name of 2-(4-chlorophenyl)-2-[(2-oxo-3H-benzimidazole-1-carbonyl)amino]acetic acid (CID 21444852) is 2-(4-chlorophenyl)-2-[(2-oxo-3H-benzimidazole-1-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-(4-chlorophenyl)-2-[(2-oxo-3H-benzimidazole-1-carbonyl)amino]acetic acid?
The canonical SMILES for 2-(4-chlorophenyl)-2-[(2-oxo-3H-benzimidazole-1-carbonyl)amino]acetic acid is O=C(O)C(NC(=O)n1c(=O)[nH]c2ccccc21)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-2-[(2-oxo-3H-benzimidazole-1-carbonyl)amino]acetic acid?
The InChIKey is KIYTVZGRJLITKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O4/c17-10-7-5-9(6-8-10)13(14(21)22)19-16(24)20-12-4-2-1-3-11(12)18-15(20)23/h1-8,13H,(H,18,23)(H,19,24)(H,21,22).
What are the key properties of 2-(4-chlorophenyl)-2-[(2-oxo-3H-benzimidazole-1-carbonyl)amino]acetic acid?
2-(4-chlorophenyl)-2-[(2-oxo-3H-benzimidazole-1-carbonyl)amino]acetic acid has a molecular weight of 345.74 g/mol, XLogP of 2.37, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-[(2-oxo-3H-benzimidazole-1-carbonyl)amino]acetic acid is sourced from PubChem (CID 21444852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).