1-(4-bromo-3-chlorophenyl)-4-methyl-N-phenylimidazol-2-amine

C16H13BrClN3 — CID 107618232

IUPAC1-(4-bromo-3-chlorophenyl)-4-methyl-N-phenylimidazol-2-amine
SMILESCc1cn(-c2ccc(Br)c(Cl)c2)c(Nc2ccccc2)n1
InChIInChI=1S/C16H13BrClN3/c1-11-10-21(13-7-8-14(17)15(18)9-13)16(19-11)20-12-5-3-2-4-6-12/h2-10H,1H3,(H,19,20)
InChIKeyXFBGBKZWONSJHY-UHFFFAOYSA-N
MW362.66 g/mol
LogP5.34
Rot. Bonds3

About 1-(4-bromo-3-chlorophenyl)-4-methyl-N-phenylimidazol-2-amine

1-(4-bromo-3-chlorophenyl)-4-methyl-N-phenylimidazol-2-amine (PubChem CID 107618232) has the molecular formula C16H13BrClN3 and a molecular weight of 362.66 g/mol. Its IUPAC name is 1-(4-bromo-3-chlorophenyl)-4-methyl-N-phenylimidazol-2-amine.

Molecular Properties

Compound Name1-(4-bromo-3-chlorophenyl)-4-methyl-N-phenylimidazol-2-amine
PubChem CID107618232
Molecular FormulaC16H13BrClN3
Molecular Weight362.66 g/mol
Exact Mass361.00
IUPAC Name1-(4-bromo-3-chlorophenyl)-4-methyl-N-phenylimidazol-2-amine
SMILESCc1cn(-c2ccc(Br)c(Cl)c2)c(Nc2ccccc2)n1
InChIInChI=1S/C16H13BrClN3/c1-11-10-21(13-7-8-14(17)15(18)9-13)16(19-11)20-12-5-3-2-4-6-12/h2-10H,1H3,(H,19,20)
InChIKeyXFBGBKZWONSJHY-UHFFFAOYSA-N
XLogP5.34
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.66
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromo-3-chlorophenyl)-4-methyl-N-phenylimidazol-2-amine 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-methyl-1-(3-methylphenyl)-N-phenylimidazol-2-amine
CID 106560180
N-(4-bromophenyl)-4-methyl-1-phenylimidazol-2-amine
CID 106558632
1-(4-iodophenyl)-4-methyl-N-phenylimidazol-2-amine
CID 106554158
N-(3-bromo-4-methylphenyl)-4-methyl-1-phenylimidazol-2-amine
CID 106573028
1-(2-bromo-4-methylphenyl)-4-methyl-N-phenylimidazol-2-amine
CID 106555622
1-(2-chloro-4-methylphenyl)-4-methyl-N-phenylimidazol-2-amine
CID 106560864
1-(4-bromo-3-chlorophenyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 107618219
N-(4-fluorophenyl)-4-methyl-1-phenylimidazol-2-amine
CID 106558735
N-(3-chloro-2-methylphenyl)-4-methyl-1-phenylimidazol-2-amine
CID 106556333
N-(3,4-difluorophenyl)-4-methyl-1-phenylimidazol-2-amine
CID 106558206
N-(2-chloro-4-iodophenyl)-4-methyl-1-phenylimidazol-2-amine
CID 107605161
1-(3-chloro-4-methylphenyl)-4-methyl-N-propan-2-ylimidazol-2-amine
CID 106555482

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chlorophenyl)-4-methyl-N-phenylimidazol-2-amine?
The IUPAC name of 1-(4-bromo-3-chlorophenyl)-4-methyl-N-phenylimidazol-2-amine (CID 107618232) is 1-(4-bromo-3-chlorophenyl)-4-methyl-N-phenylimidazol-2-amine.
What is the SMILES notation for 1-(4-bromo-3-chlorophenyl)-4-methyl-N-phenylimidazol-2-amine?
The canonical SMILES for 1-(4-bromo-3-chlorophenyl)-4-methyl-N-phenylimidazol-2-amine is Cc1cn(-c2ccc(Br)c(Cl)c2)c(Nc2ccccc2)n1.
What is the InChIKey of 1-(4-bromo-3-chlorophenyl)-4-methyl-N-phenylimidazol-2-amine?
The InChIKey is XFBGBKZWONSJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrClN3/c1-11-10-21(13-7-8-14(17)15(18)9-13)16(19-11)20-12-5-3-2-4-6-12/h2-10H,1H3,(H,19,20).
What are the key properties of 1-(4-bromo-3-chlorophenyl)-4-methyl-N-phenylimidazol-2-amine?
1-(4-bromo-3-chlorophenyl)-4-methyl-N-phenylimidazol-2-amine has a molecular weight of 362.66 g/mol, XLogP of 5.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-chlorophenyl)-4-methyl-N-phenylimidazol-2-amine is sourced from PubChem (CID 107618232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).