1-(2-bromo-4-methylphenyl)-4-methyl-N-phenylimidazol-2-amine

C17H16BrN3 — CID 106555622

IUPAC1-(2-bromo-4-methylphenyl)-4-methyl-N-phenylimidazol-2-amine
SMILESCc1ccc(-n2cc(C)nc2Nc2ccccc2)c(Br)c1
InChIInChI=1S/C17H16BrN3/c1-12-8-9-16(15(18)10-12)21-11-13(2)19-17(21)20-14-6-4-3-5-7-14/h3-11H,1-2H3,(H,19,20)
InChIKeyCKOBIUGJFUXCSX-UHFFFAOYSA-N
MW342.24 g/mol
LogP5.00
Rot. Bonds3

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

1-(2-bromo-4-methylphenyl)-4-methyl-N-phenylimidazol-2-amine (PubChem CID 106555622) has the molecular formula C17H16BrN3 and a molecular weight of 342.24 g/mol. Its IUPAC name is 1-(2-bromo-4-methylphenyl)-4-methyl-N-phenylimidazol-2-amine.

Molecular Properties

Compound Name1-(2-bromo-4-methylphenyl)-4-methyl-N-phenylimidazol-2-amine
PubChem CID106555622
Molecular FormulaC17H16BrN3
Molecular Weight342.24 g/mol
Exact Mass341.05
IUPAC Name1-(2-bromo-4-methylphenyl)-4-methyl-N-phenylimidazol-2-amine
SMILESCc1ccc(-n2cc(C)nc2Nc2ccccc2)c(Br)c1
InChIInChI=1S/C17H16BrN3/c1-12-8-9-16(15(18)10-12)21-11-13(2)19-17(21)20-14-6-4-3-5-7-14/h3-11H,1-2H3,(H,19,20)
InChIKeyCKOBIUGJFUXCSX-UHFFFAOYSA-N
XLogP5.00
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-4-methylphenyl)-4-methyl-N-phenylimidazol-2-amine
CID 106560864
1-(2-bromo-4-methylphenyl)-N-phenylimidazol-2-amine
CID 106555620
4-methyl-1-(3-methylphenyl)-N-phenylimidazol-2-amine
CID 106560180
1-(4-bromo-3-chlorophenyl)-4-methyl-N-phenylimidazol-2-amine
CID 107618232
1-(2-bromo-4-methylphenyl)-N-butyl-4-methylimidazol-2-amine
CID 106555636
N-(4-bromophenyl)-4-methyl-1-phenylimidazol-2-amine
CID 106558632
N-(3-bromo-4-methylphenyl)-4-methyl-1-phenylimidazol-2-amine
CID 106573028
1-(3-fluoro-2-methylphenyl)-4-methyl-N-phenylimidazol-2-amine
CID 106564030
1-(4-iodophenyl)-4-methyl-N-phenylimidazol-2-amine
CID 106554158
1-(2-bromo-4-fluorophenyl)-N,4-dimethylimidazol-2-amine
CID 106560683
N-(4-fluorophenyl)-4-methyl-1-phenylimidazol-2-amine
CID 106558735
1-(2,5-dimethylphenyl)-N,4-dimethylimidazol-2-amine
CID 106558212

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-methylphenyl)-4-methyl-N-phenylimidazol-2-amine?
The IUPAC name of 1-(2-bromo-4-methylphenyl)-4-methyl-N-phenylimidazol-2-amine (CID 106555622) is 1-(2-bromo-4-methylphenyl)-4-methyl-N-phenylimidazol-2-amine.
What is the SMILES notation for 1-(2-bromo-4-methylphenyl)-4-methyl-N-phenylimidazol-2-amine?
The canonical SMILES for 1-(2-bromo-4-methylphenyl)-4-methyl-N-phenylimidazol-2-amine is Cc1ccc(-n2cc(C)nc2Nc2ccccc2)c(Br)c1.
What is the InChIKey of 1-(2-bromo-4-methylphenyl)-4-methyl-N-phenylimidazol-2-amine?
The InChIKey is CKOBIUGJFUXCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3/c1-12-8-9-16(15(18)10-12)21-11-13(2)19-17(21)20-14-6-4-3-5-7-14/h3-11H,1-2H3,(H,19,20).
What are the key properties of 1-(2-bromo-4-methylphenyl)-4-methyl-N-phenylimidazol-2-amine?
1-(2-bromo-4-methylphenyl)-4-methyl-N-phenylimidazol-2-amine has a molecular weight of 342.24 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-methylphenyl)-4-methyl-N-phenylimidazol-2-amine is sourced from PubChem (CID 106555622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).