4-[(2-chloro-6-methylphenyl)carbamoyl]-1H-imidazole-5-carboxylic acid

C12H10ClN3O3 — CID 66251830

IUPAC4-[(2-chloro-6-methylphenyl)carbamoyl]-1H-imidazole-5-carboxylic acid
SMILESCc1cccc(Cl)c1NC(=O)c1nc[nH]c1C(=O)O
InChIInChI=1S/C12H10ClN3O3/c1-6-3-2-4-7(13)8(6)16-11(17)9-10(12(18)19)15-5-14-9/h2-5H,1H3,(H,14,15)(H,16,17)(H,18,19)
InChIKeyGDOZNCFUBSZFDN-UHFFFAOYSA-N
MW279.68 g/mol
LogP2.32
Rot. Bonds3

About 4-[(2-chloro-6-methylphenyl)carbamoyl]-1H-imidazole-5-carboxylic acid

4-[(2-chloro-6-methylphenyl)carbamoyl]-1H-imidazole-5-carboxylic acid (PubChem CID 66251830) has the molecular formula C12H10ClN3O3 and a molecular weight of 279.68 g/mol. Its IUPAC name is 4-[(2-chloro-6-methylphenyl)carbamoyl]-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name4-[(2-chloro-6-methylphenyl)carbamoyl]-1H-imidazole-5-carboxylic acid
PubChem CID66251830
Molecular FormulaC12H10ClN3O3
Molecular Weight279.68 g/mol
Exact Mass279.04
IUPAC Name4-[(2-chloro-6-methylphenyl)carbamoyl]-1H-imidazole-5-carboxylic acid
SMILESCc1cccc(Cl)c1NC(=O)c1nc[nH]c1C(=O)O
InChIInChI=1S/C12H10ClN3O3/c1-6-3-2-4-7(13)8(6)16-11(17)9-10(12(18)19)15-5-14-9/h2-5H,1H3,(H,14,15)(H,16,17)(H,18,19)
InChIKeyGDOZNCFUBSZFDN-UHFFFAOYSA-N
XLogP2.32
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.68
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-bromo-3-chlorophenyl)carbamoyl]-1H-imidazole-5-carboxylic acid
CID 103477624
6-[(2-chloro-6-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 66254491
2,6-dichloro-N-(2-chloro-6-methylphenyl)benzamide
CID 4548334
3-[(2-chloro-6-methylphenyl)carbamoyl]benzoic acid
CID 66254685
4-[(2-chloro-5-methyl-3-pyridinyl)carbamoyl]-1H-imidazole-5-carboxylic acid
CID 114050634
N-(2-chloro-6-methylphenyl)pyrimidine-4-carboxamide
CID 141229709
N-(2,6-dichlorophenyl)-4-formamido-1H-imidazole-5-carboxamide
CID 618703
4-N-[4-[(2,6-dichlorobenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118424005
N-(2-chloro-6-methylphenyl)-1,3-thiazole-4-carboxamide
CID 66255718
5-N-methyl-4-N-(2-methylphenyl)-1H-imidazole-4,5-dicarboxamide
CID 965334
5-bromo-N-(2-chloro-6-methylphenyl)pyridine-2-carboxamide
CID 66255147
5-amino-N-(2-chloro-6-methylphenyl)pyrazine-2-carboxamide
CID 107376052

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-6-methylphenyl)carbamoyl]-1H-imidazole-5-carboxylic acid?
The IUPAC name of 4-[(2-chloro-6-methylphenyl)carbamoyl]-1H-imidazole-5-carboxylic acid (CID 66251830) is 4-[(2-chloro-6-methylphenyl)carbamoyl]-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 4-[(2-chloro-6-methylphenyl)carbamoyl]-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 4-[(2-chloro-6-methylphenyl)carbamoyl]-1H-imidazole-5-carboxylic acid is Cc1cccc(Cl)c1NC(=O)c1nc[nH]c1C(=O)O.
What is the InChIKey of 4-[(2-chloro-6-methylphenyl)carbamoyl]-1H-imidazole-5-carboxylic acid?
The InChIKey is GDOZNCFUBSZFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O3/c1-6-3-2-4-7(13)8(6)16-11(17)9-10(12(18)19)15-5-14-9/h2-5H,1H3,(H,14,15)(H,16,17)(H,18,19).
What are the key properties of 4-[(2-chloro-6-methylphenyl)carbamoyl]-1H-imidazole-5-carboxylic acid?
4-[(2-chloro-6-methylphenyl)carbamoyl]-1H-imidazole-5-carboxylic acid has a molecular weight of 279.68 g/mol, XLogP of 2.32, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-6-methylphenyl)carbamoyl]-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 66251830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).