3-[(1-methylimidazole-2-carbonyl)amino]benzoic acid

C12H11N3O3 — CID 110467287

IUPAC3-[(1-methylimidazole-2-carbonyl)amino]benzoic acid
SMILESCn1ccnc1C(=O)Nc1cccc(C(=O)O)c1
InChIInChI=1S/C12H11N3O3/c1-15-6-5-13-10(15)11(16)14-9-4-2-3-8(7-9)12(17)18/h2-7H,1H3,(H,14,16)(H,17,18)
InChIKeyORNLESJBDIJATG-UHFFFAOYSA-N
MW245.24 g/mol
LogP1.37
Rot. Bonds3

About 3-[(1-methylimidazole-2-carbonyl)amino]benzoic acid

3-[(1-methylimidazole-2-carbonyl)amino]benzoic acid (PubChem CID 110467287) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is 3-[(1-methylimidazole-2-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name3-[(1-methylimidazole-2-carbonyl)amino]benzoic acid
PubChem CID110467287
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC Name3-[(1-methylimidazole-2-carbonyl)amino]benzoic acid
SMILESCn1ccnc1C(=O)Nc1cccc(C(=O)O)c1
InChIInChI=1S/C12H11N3O3/c1-15-6-5-13-10(15)11(16)14-9-4-2-3-8(7-9)12(17)18/h2-7H,1H3,(H,14,16)(H,17,18)
InChIKeyORNLESJBDIJATG-UHFFFAOYSA-N
XLogP1.37
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(1-methylimidazole-2-carbonyl)amino]benzoic 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

N-[3-(1-methylimidazole-2-carbonyl)phenyl]-3-pyrrol-1-ylpropanamide
CID 125433246
3-[(3-methylimidazole-4-carbonyl)amino]benzoic acid
CID 103510399
N-[3-(1-methylimidazole-2-carbonyl)phenyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 124655998
3-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]benzoic acid
CID 43350862
3-[(6-methylpyridine-3-carbonyl)amino]benzoic acid
CID 16793648
3-[(3-aminopyridine-2-carbonyl)amino]benzoic acid
CID 104741844
3-(3,4-dimethoxyphenyl)-N-[3-(1-methylimidazole-2-carbonyl)phenyl]propanamide
CID 71703575
3-[[2-(1,2,4-triazol-4-yl)pyridine-4-carbonyl]amino]benzoic acid
CID 5306824
3-[[4-(2,2-dimethylpropanoyl)benzoyl]amino]benzoic acid
CID 18949195
3-[(2,6-dichloropyridine-4-carbonyl)amino]benzoic acid
CID 60657143
3-[[4-[(3-carboxyphenyl)carbamoyl]-2,5-dimethylfuran-3-carbonyl]amino]benzoic acid
CID 1267744
3-[(4-methoxycarbonylbenzoyl)amino]benzoic acid
CID 45425987

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylimidazole-2-carbonyl)amino]benzoic acid?
The IUPAC name of 3-[(1-methylimidazole-2-carbonyl)amino]benzoic acid (CID 110467287) is 3-[(1-methylimidazole-2-carbonyl)amino]benzoic acid.
What is the SMILES notation for 3-[(1-methylimidazole-2-carbonyl)amino]benzoic acid?
The canonical SMILES for 3-[(1-methylimidazole-2-carbonyl)amino]benzoic acid is Cn1ccnc1C(=O)Nc1cccc(C(=O)O)c1.
What is the InChIKey of 3-[(1-methylimidazole-2-carbonyl)amino]benzoic acid?
The InChIKey is ORNLESJBDIJATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3/c1-15-6-5-13-10(15)11(16)14-9-4-2-3-8(7-9)12(17)18/h2-7H,1H3,(H,14,16)(H,17,18).
What are the key properties of 3-[(1-methylimidazole-2-carbonyl)amino]benzoic acid?
3-[(1-methylimidazole-2-carbonyl)amino]benzoic acid has a molecular weight of 245.24 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylimidazole-2-carbonyl)amino]benzoic acid is sourced from PubChem (CID 110467287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).