1-(3-bromo-5-methylphenyl)-N-phenylimidazol-2-amine

C16H14BrN3 — CID 107581423

IUPAC1-(3-bromo-5-methylphenyl)-N-phenylimidazol-2-amine
SMILESCc1cc(Br)cc(-n2ccnc2Nc2ccccc2)c1
InChIInChI=1S/C16H14BrN3/c1-12-9-13(17)11-15(10-12)20-8-7-18-16(20)19-14-5-3-2-4-6-14/h2-11H,1H3,(H,18,19)
InChIKeyDUHSXGQCLMJRDZ-UHFFFAOYSA-N
MW328.21 g/mol
LogP4.69
Rot. Bonds3

About 1-(3-bromo-5-methylphenyl)-N-phenylimidazol-2-amine

1-(3-bromo-5-methylphenyl)-N-phenylimidazol-2-amine (PubChem CID 107581423) has the molecular formula C16H14BrN3 and a molecular weight of 328.21 g/mol. Its IUPAC name is 1-(3-bromo-5-methylphenyl)-N-phenylimidazol-2-amine.

Molecular Properties

Compound Name1-(3-bromo-5-methylphenyl)-N-phenylimidazol-2-amine
PubChem CID107581423
Molecular FormulaC16H14BrN3
Molecular Weight328.21 g/mol
Exact Mass327.04
IUPAC Name1-(3-bromo-5-methylphenyl)-N-phenylimidazol-2-amine
SMILESCc1cc(Br)cc(-n2ccnc2Nc2ccccc2)c1
InChIInChI=1S/C16H14BrN3/c1-12-9-13(17)11-15(10-12)20-8-7-18-16(20)19-14-5-3-2-4-6-14/h2-11H,1H3,(H,18,19)
InChIKeyDUHSXGQCLMJRDZ-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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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methylphenyl)-N-phenylimidazol-2-amine?
The IUPAC name of 1-(3-bromo-5-methylphenyl)-N-phenylimidazol-2-amine (CID 107581423) is 1-(3-bromo-5-methylphenyl)-N-phenylimidazol-2-amine.
What is the SMILES notation for 1-(3-bromo-5-methylphenyl)-N-phenylimidazol-2-amine?
The canonical SMILES for 1-(3-bromo-5-methylphenyl)-N-phenylimidazol-2-amine is Cc1cc(Br)cc(-n2ccnc2Nc2ccccc2)c1.
What is the InChIKey of 1-(3-bromo-5-methylphenyl)-N-phenylimidazol-2-amine?
The InChIKey is DUHSXGQCLMJRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3/c1-12-9-13(17)11-15(10-12)20-8-7-18-16(20)19-14-5-3-2-4-6-14/h2-11H,1H3,(H,18,19).
What are the key properties of 1-(3-bromo-5-methylphenyl)-N-phenylimidazol-2-amine?
1-(3-bromo-5-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-(3-bromo-5-methylphenyl)-N-phenylimidazol-2-amine is sourced from PubChem (CID 107581423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).