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

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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).