3-bromo-4-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]benzamide

C11H13BrN4O — CID 174258294

IUPAC3-bromo-4-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]benzamide
SMILESCC1CN=C(Nc2ccc(C(N)=O)cc2Br)N1
InChIInChI=1S/C11H13BrN4O/c1-6-5-14-11(15-6)16-9-3-2-7(10(13)17)4-8(9)12/h2-4,6H,5H2,1H3,(H2,13,17)(H2,14,15,16)
InChIKeyABEGRBCXZIVFAD-UHFFFAOYSA-N
MW297.16 g/mol
LogP1.31
Rot. Bonds2

About 3-bromo-4-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]benzamide

3-bromo-4-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]benzamide (PubChem CID 174258294) has the molecular formula C11H13BrN4O and a molecular weight of 297.16 g/mol. Its IUPAC name is 3-bromo-4-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]benzamide.

Molecular Properties

Compound Name3-bromo-4-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]benzamide
PubChem CID174258294
Molecular FormulaC11H13BrN4O
Molecular Weight297.16 g/mol
Exact Mass296.03
IUPAC Name3-bromo-4-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]benzamide
SMILESCC1CN=C(Nc2ccc(C(N)=O)cc2Br)N1
InChIInChI=1S/C11H13BrN4O/c1-6-5-14-11(15-6)16-9-3-2-7(10(13)17)4-8(9)12/h2-4,6H,5H2,1H3,(H2,13,17)(H2,14,15,16)
InChIKeyABEGRBCXZIVFAD-UHFFFAOYSA-N
XLogP1.31
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.16
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-bromo-4-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]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-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzamide;hydroiodide
CID 120969159
5-methyl-N-(3-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 126982467
4-(2-bromo-4-carbamoylanilino)cyclohexane-1-carboxylic acid
CID 82797963
3-bromo-4-[2-[(2R)-pyrrolidin-2-yl]ethylamino]benzamide
CID 104973102
3-(2-bromo-4-carbamothioylanilino)benzamide
CID 107811417
3-bromo-4-(2-methylpiperidin-1-yl)benzamide
CID 169336360
3-amino-4-(2-bromo-4-cyanoanilino)benzamide
CID 107787268
3-bromo-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]benzamide
CID 107489144
4-amino-3-(2-bromo-4-cyanoanilino)benzamide
CID 107787252
3-bromo-4-[methyl-[4-(methylamino)cyclohexyl]amino]benzamide
CID 82809617
4-N,4-N-dimethyl-1-N-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine
CID 90644726
4-amino-3-(2-bromoanilino)benzamide
CID 55191226

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]benzamide?
The IUPAC name of 3-bromo-4-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]benzamide (CID 174258294) is 3-bromo-4-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]benzamide.
What is the SMILES notation for 3-bromo-4-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]benzamide?
The canonical SMILES for 3-bromo-4-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]benzamide is CC1CN=C(Nc2ccc(C(N)=O)cc2Br)N1.
What is the InChIKey of 3-bromo-4-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]benzamide?
The InChIKey is ABEGRBCXZIVFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4O/c1-6-5-14-11(15-6)16-9-3-2-7(10(13)17)4-8(9)12/h2-4,6H,5H2,1H3,(H2,13,17)(H2,14,15,16).
What are the key properties of 3-bromo-4-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]benzamide?
3-bromo-4-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]benzamide has a molecular weight of 297.16 g/mol, XLogP of 1.31, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]benzamide is sourced from PubChem (CID 174258294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).