N-[(2-bromophenyl)methyl]-N,3-dimethylimidazole-4-carboxamide

C13H14BrN3O — CID 103511075

IUPACN-[(2-bromophenyl)methyl]-N,3-dimethylimidazole-4-carboxamide
SMILESCN(Cc1ccccc1Br)C(=O)c1cncn1C
InChIInChI=1S/C13H14BrN3O/c1-16(8-10-5-3-4-6-11(10)14)13(18)12-7-15-9-17(12)2/h3-7,9H,8H2,1-2H3
InChIKeyJXWOLDALUJXQGJ-UHFFFAOYSA-N
MW308.18 g/mol
LogP2.45
Rot. Bonds3

About N-[(2-bromophenyl)methyl]-N,3-dimethylimidazole-4-carboxamide

N-[(2-bromophenyl)methyl]-N,3-dimethylimidazole-4-carboxamide (PubChem CID 103511075) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-N,3-dimethylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-N,3-dimethylimidazole-4-carboxamide
PubChem CID103511075
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC NameN-[(2-bromophenyl)methyl]-N,3-dimethylimidazole-4-carboxamide
SMILESCN(Cc1ccccc1Br)C(=O)c1cncn1C
InChIInChI=1S/C13H14BrN3O/c1-16(8-10-5-3-4-6-11(10)14)13(18)12-7-15-9-17(12)2/h3-7,9H,8H2,1-2H3
InChIKeyJXWOLDALUJXQGJ-UHFFFAOYSA-N
XLogP2.45
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(2-bromophenyl)methyl]-N,3-dimethylimidazole-4-carboxamide 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-benzyl-N,3-dimethylimidazole-4-carboxamide
CID 110851099
N-[(3-aminophenyl)methyl]-N,3-dimethylimidazole-4-carboxamide
CID 103510269
4,5-dibromo-N-[(2-bromophenyl)methyl]-N-methylthiophene-2-carboxamide
CID 78906851
4-amino-N-[(2-bromophenyl)methyl]-N-methyl-1-propylpyrrole-2-carboxamide
CID 61113889
2-amino-N-[(2-bromophenyl)methyl]-N-methylbenzamide
CID 55028935
N-[(2-bromophenyl)methyl]-2,6-dichloro-N-methylbenzamide
CID 60630835
1-[(2-bromophenyl)methyl]-1-methylurea
CID 60703114
N-[(2-bromophenyl)methyl]-4-chloro-1-ethyl-N-methylpyrrole-2-carboxamide
CID 61416672
N-ethyl-3-methyl-N-phenylimidazole-4-carboxamide
CID 42789423
6-amino-N-[(2-bromophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 62240529
N-[(2-bromophenyl)methyl]-2-hydroxy-N-methylacetamide
CID 16769580
2-bromo-N-[(2-bromophenyl)methyl]-6-fluoro-N-methylbenzamide
CID 114559308

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-N,3-dimethylimidazole-4-carboxamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-N,3-dimethylimidazole-4-carboxamide (CID 103511075) is N-[(2-bromophenyl)methyl]-N,3-dimethylimidazole-4-carboxamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-N,3-dimethylimidazole-4-carboxamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-N,3-dimethylimidazole-4-carboxamide is CN(Cc1ccccc1Br)C(=O)c1cncn1C.
What is the InChIKey of N-[(2-bromophenyl)methyl]-N,3-dimethylimidazole-4-carboxamide?
The InChIKey is JXWOLDALUJXQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c1-16(8-10-5-3-4-6-11(10)14)13(18)12-7-15-9-17(12)2/h3-7,9H,8H2,1-2H3.
What are the key properties of N-[(2-bromophenyl)methyl]-N,3-dimethylimidazole-4-carboxamide?
N-[(2-bromophenyl)methyl]-N,3-dimethylimidazole-4-carboxamide has a molecular weight of 308.18 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-N,3-dimethylimidazole-4-carboxamide is sourced from PubChem (CID 103511075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).