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

C16H14BrN3 — CID 106555620

IUPAC1-(2-bromo-4-methylphenyl)-N-phenylimidazol-2-amine
SMILESCc1ccc(-n2ccnc2Nc2ccccc2)c(Br)c1
InChIInChI=1S/C16H14BrN3/c1-12-7-8-15(14(17)11-12)20-10-9-18-16(20)19-13-5-3-2-4-6-13/h2-11H,1H3,(H,18,19)
InChIKeyHVHIRONBWAZTAH-UHFFFAOYSA-N
MW328.21 g/mol
LogP4.69
Rot. Bonds3

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

1-(2-bromo-4-methylphenyl)-N-phenylimidazol-2-amine (PubChem CID 106555620) has the molecular formula C16H14BrN3 and a molecular weight of 328.21 g/mol. Its IUPAC name is 1-(2-bromo-4-methylphenyl)-N-phenylimidazol-2-amine.

Molecular Properties

Compound Name1-(2-bromo-4-methylphenyl)-N-phenylimidazol-2-amine
PubChem CID106555620
Molecular FormulaC16H14BrN3
Molecular Weight328.21 g/mol
Exact Mass327.04
IUPAC Name1-(2-bromo-4-methylphenyl)-N-phenylimidazol-2-amine
SMILESCc1ccc(-n2ccnc2Nc2ccccc2)c(Br)c1
InChIInChI=1S/C16H14BrN3/c1-12-7-8-15(14(17)11-12)20-10-9-18-16(20)19-13-5-3-2-4-6-13/h2-11H,1H3,(H,18,19)
InChIKeyHVHIRONBWAZTAH-UHFFFAOYSA-N
XLogP4.69
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoro-5-methylphenyl)-N-phenylimidazol-2-amine
CID 106561024
1-(2-bromo-4-methylphenyl)-4-methyl-N-phenylimidazol-2-amine
CID 106555622
1-(3-bromo-5-methylphenyl)-N-phenylimidazol-2-amine
CID 107581423
1-(4-bromo-2-fluorophenyl)-N-phenylimidazol-2-amine
CID 106556947
1-(3-methyl-4-pyridinyl)-N-phenylimidazol-2-amine
CID 123833063
1-(2-bromo-4-methylphenyl)-N-prop-2-enylimidazol-2-amine
CID 106555655
1-(2-bromo-5-methylphenyl)-N-ethylimidazol-2-amine
CID 106578943
1-(2-bromo-5-methylphenyl)-N-cyclopropylimidazol-2-amine
CID 106578937
1-(3-methoxyphenyl)-N-phenylimidazol-2-amine
CID 106559903
1-(2-chloro-4-methylphenyl)-4-methyl-N-phenylimidazol-2-amine
CID 106560864
N-(3-bromo-4-chlorophenyl)-1-phenylimidazol-2-amine
CID 106576639
1-(2,5-dimethylphenyl)-N-methylimidazol-2-amine
CID 106558210

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-methylphenyl)-N-phenylimidazol-2-amine?
The IUPAC name of 1-(2-bromo-4-methylphenyl)-N-phenylimidazol-2-amine (CID 106555620) is 1-(2-bromo-4-methylphenyl)-N-phenylimidazol-2-amine.
What is the SMILES notation for 1-(2-bromo-4-methylphenyl)-N-phenylimidazol-2-amine?
The canonical SMILES for 1-(2-bromo-4-methylphenyl)-N-phenylimidazol-2-amine is Cc1ccc(-n2ccnc2Nc2ccccc2)c(Br)c1.
What is the InChIKey of 1-(2-bromo-4-methylphenyl)-N-phenylimidazol-2-amine?
The InChIKey is HVHIRONBWAZTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3/c1-12-7-8-15(14(17)11-12)20-10-9-18-16(20)19-13-5-3-2-4-6-13/h2-11H,1H3,(H,18,19).
What are the key properties of 1-(2-bromo-4-methylphenyl)-N-phenylimidazol-2-amine?
1-(2-bromo-4-methylphenyl)-N-phenylimidazol-2-amine has a molecular weight of 328.21 g/mol, XLogP of 4.69, 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)-N-phenylimidazol-2-amine is sourced from PubChem (CID 106555620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).