5-amino-3-[(4-chlorophenyl)methyl]-2-oxo-1H-imidazole-4-carboxylic acid

C11H10ClN3O3 — CID 82487412

IUPAC5-amino-3-[(4-chlorophenyl)methyl]-2-oxo-1H-imidazole-4-carboxylic acid
SMILESNc1[nH]c(=O)n(Cc2ccc(Cl)cc2)c1C(=O)O
InChIInChI=1S/C11H10ClN3O3/c12-7-3-1-6(2-4-7)5-15-8(10(16)17)9(13)14-11(15)18/h1-4H,5,13H2,(H,14,18)(H,16,17)
InChIKeyYAERQLVDCQUWKQ-UHFFFAOYSA-N
MW267.67 g/mol
LogP1.16
Rot. Bonds3

About 5-amino-3-[(4-chlorophenyl)methyl]-2-oxo-1H-imidazole-4-carboxylic acid

5-amino-3-[(4-chlorophenyl)methyl]-2-oxo-1H-imidazole-4-carboxylic acid (PubChem CID 82487412) has the molecular formula C11H10ClN3O3 and a molecular weight of 267.67 g/mol. Its IUPAC name is 5-amino-3-[(4-chlorophenyl)methyl]-2-oxo-1H-imidazole-4-carboxylic acid.

Molecular Properties

Compound Name5-amino-3-[(4-chlorophenyl)methyl]-2-oxo-1H-imidazole-4-carboxylic acid
PubChem CID82487412
Molecular FormulaC11H10ClN3O3
Molecular Weight267.67 g/mol
Exact Mass267.04
IUPAC Name5-amino-3-[(4-chlorophenyl)methyl]-2-oxo-1H-imidazole-4-carboxylic acid
SMILESNc1[nH]c(=O)n(Cc2ccc(Cl)cc2)c1C(=O)O
InChIInChI=1S/C11H10ClN3O3/c12-7-3-1-6(2-4-7)5-15-8(10(16)17)9(13)14-11(15)18/h1-4H,5,13H2,(H,14,18)(H,16,17)
InChIKeyYAERQLVDCQUWKQ-UHFFFAOYSA-N
XLogP1.16
TPSA101.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.67
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-3-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-one
CID 117207534
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(4-chlorophenyl)methyl-methylamino]-N-methylacetamide
CID 4848050
5-amino-3-(2-methoxyethyl)-2-oxo-1H-imidazole-4-carboxylic acid
CID 82469457
5-amino-3-(4-ethylphenyl)-2-oxo-1H-imidazole-4-carboxylic acid
CID 82479729
6-chloro-3-(4-chlorobenzoyl)-1-[(4-chlorophenyl)methyl]indole-2-carboxylic acid
CID 134224175
3-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-one
CID 4681038
1-[(4-chlorophenyl)methyl]-6-oxopyridine-2-carboxylic acid
CID 58306715
6-chloro-3-[(4-chlorophenyl)methyl]-5-fluoro-1H-pyrimidine-2,4-dione
CID 113404444
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(4-chlorophenyl)-N-(2-methoxyethyl)acetamide
CID 26120760
1-[(4-chlorophenyl)methyl]quinazoline-2,4-dione
CID 19744058
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(2,5-dichlorophenyl)sulfanyl-N-methylacetamide
CID 55336893
4-[(4-chlorophenyl)methyl]-5-sulfanylidene-1,2,4-triazolidin-3-one
CID 62896733

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[(4-chlorophenyl)methyl]-2-oxo-1H-imidazole-4-carboxylic acid?
The IUPAC name of 5-amino-3-[(4-chlorophenyl)methyl]-2-oxo-1H-imidazole-4-carboxylic acid (CID 82487412) is 5-amino-3-[(4-chlorophenyl)methyl]-2-oxo-1H-imidazole-4-carboxylic acid.
What is the SMILES notation for 5-amino-3-[(4-chlorophenyl)methyl]-2-oxo-1H-imidazole-4-carboxylic acid?
The canonical SMILES for 5-amino-3-[(4-chlorophenyl)methyl]-2-oxo-1H-imidazole-4-carboxylic acid is Nc1[nH]c(=O)n(Cc2ccc(Cl)cc2)c1C(=O)O.
What is the InChIKey of 5-amino-3-[(4-chlorophenyl)methyl]-2-oxo-1H-imidazole-4-carboxylic acid?
The InChIKey is YAERQLVDCQUWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O3/c12-7-3-1-6(2-4-7)5-15-8(10(16)17)9(13)14-11(15)18/h1-4H,5,13H2,(H,14,18)(H,16,17).
What are the key properties of 5-amino-3-[(4-chlorophenyl)methyl]-2-oxo-1H-imidazole-4-carboxylic acid?
5-amino-3-[(4-chlorophenyl)methyl]-2-oxo-1H-imidazole-4-carboxylic acid has a molecular weight of 267.67 g/mol, XLogP of 1.16, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[(4-chlorophenyl)methyl]-2-oxo-1H-imidazole-4-carboxylic acid is sourced from PubChem (CID 82487412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).