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

C17H16BrN3 — CID 106573028

IUPACN-(3-bromo-4-methylphenyl)-4-methyl-1-phenylimidazol-2-amine
SMILESCc1cn(-c2ccccc2)c(Nc2ccc(C)c(Br)c2)n1
InChIInChI=1S/C17H16BrN3/c1-12-8-9-14(10-16(12)18)20-17-19-13(2)11-21(17)15-6-4-3-5-7-15/h3-11H,1-2H3,(H,19,20)
InChIKeyWKKHYYVRYLIEEM-UHFFFAOYSA-N
MW342.24 g/mol
LogP5.00
Rot. Bonds3

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

N-(3-bromo-4-methylphenyl)-4-methyl-1-phenylimidazol-2-amine (PubChem CID 106573028) has the molecular formula C17H16BrN3 and a molecular weight of 342.24 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-4-methyl-1-phenylimidazol-2-amine.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-4-methyl-1-phenylimidazol-2-amine
PubChem CID106573028
Molecular FormulaC17H16BrN3
Molecular Weight342.24 g/mol
Exact Mass341.05
IUPAC NameN-(3-bromo-4-methylphenyl)-4-methyl-1-phenylimidazol-2-amine
SMILESCc1cn(-c2ccccc2)c(Nc2ccc(C)c(Br)c2)n1
InChIInChI=1S/C17H16BrN3/c1-12-8-9-14(10-16(12)18)20-17-19-13(2)11-21(17)15-6-4-3-5-7-15/h3-11H,1-2H3,(H,19,20)
InChIKeyWKKHYYVRYLIEEM-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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Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-4-methyl-1-phenylimidazol-2-amine?
The IUPAC name of N-(3-bromo-4-methylphenyl)-4-methyl-1-phenylimidazol-2-amine (CID 106573028) is N-(3-bromo-4-methylphenyl)-4-methyl-1-phenylimidazol-2-amine.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-4-methyl-1-phenylimidazol-2-amine?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-4-methyl-1-phenylimidazol-2-amine is Cc1cn(-c2ccccc2)c(Nc2ccc(C)c(Br)c2)n1.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-4-methyl-1-phenylimidazol-2-amine?
The InChIKey is WKKHYYVRYLIEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3/c1-12-8-9-14(10-16(12)18)20-17-19-13(2)11-21(17)15-6-4-3-5-7-15/h3-11H,1-2H3,(H,19,20).
What are the key properties of N-(3-bromo-4-methylphenyl)-4-methyl-1-phenylimidazol-2-amine?
N-(3-bromo-4-methylphenyl)-4-methyl-1-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 N-(3-bromo-4-methylphenyl)-4-methyl-1-phenylimidazol-2-amine is sourced from PubChem (CID 106573028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).