5-bromo-N-(1-imidazol-1-ylpropan-2-yl)-2-methylbenzamide

C14H16BrN3O — CID 65311773

IUPAC5-bromo-N-(1-imidazol-1-ylpropan-2-yl)-2-methylbenzamide
SMILESCc1ccc(Br)cc1C(=O)NC(C)Cn1ccnc1
InChIInChI=1S/C14H16BrN3O/c1-10-3-4-12(15)7-13(10)14(19)17-11(2)8-18-6-5-16-9-18/h3-7,9,11H,8H2,1-2H3,(H,17,19)
InChIKeyDJYIAKOKOJCDJJ-UHFFFAOYSA-N
MW322.21 g/mol
LogP2.77
Rot. Bonds4

About 5-bromo-N-(1-imidazol-1-ylpropan-2-yl)-2-methylbenzamide

5-bromo-N-(1-imidazol-1-ylpropan-2-yl)-2-methylbenzamide (PubChem CID 65311773) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is 5-bromo-N-(1-imidazol-1-ylpropan-2-yl)-2-methylbenzamide.

Molecular Properties

Compound Name5-bromo-N-(1-imidazol-1-ylpropan-2-yl)-2-methylbenzamide
PubChem CID65311773
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC Name5-bromo-N-(1-imidazol-1-ylpropan-2-yl)-2-methylbenzamide
SMILESCc1ccc(Br)cc1C(=O)NC(C)Cn1ccnc1
InChIInChI=1S/C14H16BrN3O/c1-10-3-4-12(15)7-13(10)14(19)17-11(2)8-18-6-5-16-9-18/h3-7,9,11H,8H2,1-2H3,(H,17,19)
InChIKeyDJYIAKOKOJCDJJ-UHFFFAOYSA-N
XLogP2.77
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-N-(1-imidazol-1-ylpropan-2-yl)-2-methylbenzamide 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

5-bromo-N-(3-imidazol-1-ylpropyl)-2-methylbenzamide
CID 65307454
N-[(2S)-1-imidazol-1-ylpropan-2-yl]-2,6-dimethylquinoline-3-carboxamide
CID 94448585
2-fluoro-N-[(2S)-1-imidazol-1-ylpropan-2-yl]benzamide
CID 93422582
2-fluoro-N-[(2R)-1-imidazol-1-ylpropan-2-yl]benzamide
CID 93422583
N-(1-imidazol-1-ylpropan-2-yl)-3-methyl-4-(methylamino)benzamide
CID 63213990
3-bromo-N-(1-imidazol-1-ylpropan-2-yl)pyridine-2-carboxamide
CID 107518195
4-bromo-N-(1-imidazol-1-ylpropan-2-yl)-1-propylpyrrole-2-carboxamide
CID 60955287
N-(1-imidazol-1-ylpropan-2-yl)-5-methylthiophene-2-carboxamide
CID 47187508
4-[(5-bromo-2-methylbenzoyl)amino]pentanoic acid
CID 65308129
2,5-dichloro-N-(1-imidazol-1-ylpropan-2-yl)pyridine-4-carboxamide
CID 114917693
N-[(2R)-1-imidazol-1-ylpropan-2-yl]-2-methyl-6-phenylpyridine-3-carboxamide
CID 94173055
1-[(3-bromophenyl)methyl]-3-[(2S)-1-imidazol-1-ylpropan-2-yl]urea
CID 95045519

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-imidazol-1-ylpropan-2-yl)-2-methylbenzamide?
The IUPAC name of 5-bromo-N-(1-imidazol-1-ylpropan-2-yl)-2-methylbenzamide (CID 65311773) is 5-bromo-N-(1-imidazol-1-ylpropan-2-yl)-2-methylbenzamide.
What is the SMILES notation for 5-bromo-N-(1-imidazol-1-ylpropan-2-yl)-2-methylbenzamide?
The canonical SMILES for 5-bromo-N-(1-imidazol-1-ylpropan-2-yl)-2-methylbenzamide is Cc1ccc(Br)cc1C(=O)NC(C)Cn1ccnc1.
What is the InChIKey of 5-bromo-N-(1-imidazol-1-ylpropan-2-yl)-2-methylbenzamide?
The InChIKey is DJYIAKOKOJCDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-10-3-4-12(15)7-13(10)14(19)17-11(2)8-18-6-5-16-9-18/h3-7,9,11H,8H2,1-2H3,(H,17,19).
What are the key properties of 5-bromo-N-(1-imidazol-1-ylpropan-2-yl)-2-methylbenzamide?
5-bromo-N-(1-imidazol-1-ylpropan-2-yl)-2-methylbenzamide has a molecular weight of 322.21 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-imidazol-1-ylpropan-2-yl)-2-methylbenzamide is sourced from PubChem (CID 65311773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).