3-bromo-4-chloro-N-[(1-methylimidazol-2-yl)methyl]benzamide

C12H11BrClN3O — CID 113329947

IUPAC3-bromo-4-chloro-N-[(1-methylimidazol-2-yl)methyl]benzamide
SMILESCn1ccnc1CNC(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C12H11BrClN3O/c1-17-5-4-15-11(17)7-16-12(18)8-2-3-10(14)9(13)6-8/h2-6H,7H2,1H3,(H,16,18)
InChIKeyOGVZCDOOOGADAS-UHFFFAOYSA-N
MW328.60 g/mol
LogP2.77
Rot. Bonds3

About 3-bromo-4-chloro-N-[(1-methylimidazol-2-yl)methyl]benzamide

3-bromo-4-chloro-N-[(1-methylimidazol-2-yl)methyl]benzamide (PubChem CID 113329947) has the molecular formula C12H11BrClN3O and a molecular weight of 328.60 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-[(1-methylimidazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-[(1-methylimidazol-2-yl)methyl]benzamide
PubChem CID113329947
Molecular FormulaC12H11BrClN3O
Molecular Weight328.60 g/mol
Exact Mass326.98
IUPAC Name3-bromo-4-chloro-N-[(1-methylimidazol-2-yl)methyl]benzamide
SMILESCn1ccnc1CNC(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C12H11BrClN3O/c1-17-5-4-15-11(17)7-16-12(18)8-2-3-10(14)9(13)6-8/h2-6H,7H2,1H3,(H,16,18)
InChIKeyOGVZCDOOOGADAS-UHFFFAOYSA-N
XLogP2.77
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.60
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-bromo-4-chloro-N-[(1-methylimidazol-2-yl)methyl]benzamide 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

4-(bromomethyl)-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 102851668
3,6-dichloro-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide
CID 63236046
4-amino-3-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 63295986
2,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]quinoxaline-6-carboxamide
CID 110440656
N-[(1-methylimidazol-2-yl)methyl]-1H-indazole-5-carboxamide
CID 110468627
5-chloro-2-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 63235961
3-cyano-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 55168275
4-chloro-3-[(1-methylimidazol-2-yl)methylamino]benzoic acid
CID 82539404
N-[(1-methylimidazol-2-yl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 110446701
5-bromo-N-[(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide
CID 63236222
3-bromo-4-chloro-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 103841851
2-[(3-bromo-4-chlorophenyl)methyl]-1-methylimidazole
CID 82561964

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-[(1-methylimidazol-2-yl)methyl]benzamide?
The IUPAC name of 3-bromo-4-chloro-N-[(1-methylimidazol-2-yl)methyl]benzamide (CID 113329947) is 3-bromo-4-chloro-N-[(1-methylimidazol-2-yl)methyl]benzamide.
What is the SMILES notation for 3-bromo-4-chloro-N-[(1-methylimidazol-2-yl)methyl]benzamide?
The canonical SMILES for 3-bromo-4-chloro-N-[(1-methylimidazol-2-yl)methyl]benzamide is Cn1ccnc1CNC(=O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-[(1-methylimidazol-2-yl)methyl]benzamide?
The InChIKey is OGVZCDOOOGADAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClN3O/c1-17-5-4-15-11(17)7-16-12(18)8-2-3-10(14)9(13)6-8/h2-6H,7H2,1H3,(H,16,18).
What are the key properties of 3-bromo-4-chloro-N-[(1-methylimidazol-2-yl)methyl]benzamide?
3-bromo-4-chloro-N-[(1-methylimidazol-2-yl)methyl]benzamide has a molecular weight of 328.60 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-[(1-methylimidazol-2-yl)methyl]benzamide is sourced from PubChem (CID 113329947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).