1-[(E)-(4-bromophenyl)methylideneamino]-4-phenylimidazol-2-amine

C16H13BrN4 — CID 45378507

IUPAC1-[(E)-(4-bromophenyl)methylideneamino]-4-phenylimidazol-2-amine
SMILESNc1nc(-c2ccccc2)cn1/N=C/c1ccc(Br)cc1
InChIInChI=1S/C16H13BrN4/c17-14-8-6-12(7-9-14)10-19-21-11-15(20-16(21)18)13-4-2-1-3-5-13/h1-11H,(H2,18,20)/b19-10+
InChIKeyXUSVLPMVGCDCMG-VXLYETTFSA-N
MW341.21 g/mol
LogP3.78
Rot. Bonds3

About 1-[(E)-(4-bromophenyl)methylideneamino]-4-phenylimidazol-2-amine

1-[(E)-(4-bromophenyl)methylideneamino]-4-phenylimidazol-2-amine (PubChem CID 45378507) has the molecular formula C16H13BrN4 and a molecular weight of 341.21 g/mol. Its IUPAC name is 1-[(E)-(4-bromophenyl)methylideneamino]-4-phenylimidazol-2-amine.

Molecular Properties

Compound Name1-[(E)-(4-bromophenyl)methylideneamino]-4-phenylimidazol-2-amine
PubChem CID45378507
Molecular FormulaC16H13BrN4
Molecular Weight341.21 g/mol
Exact Mass340.03
IUPAC Name1-[(E)-(4-bromophenyl)methylideneamino]-4-phenylimidazol-2-amine
SMILESNc1nc(-c2ccccc2)cn1/N=C/c1ccc(Br)cc1
InChIInChI=1S/C16H13BrN4/c17-14-8-6-12(7-9-14)10-19-21-11-15(20-16(21)18)13-4-2-1-3-5-13/h1-11H,(H2,18,20)/b19-10+
InChIKeyXUSVLPMVGCDCMG-VXLYETTFSA-N
XLogP3.78
TPSA56.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-(4-bromophenyl)methylideneamino]-4-phenylimidazol-2-amine?
The IUPAC name of 1-[(E)-(4-bromophenyl)methylideneamino]-4-phenylimidazol-2-amine (CID 45378507) is 1-[(E)-(4-bromophenyl)methylideneamino]-4-phenylimidazol-2-amine.
What is the SMILES notation for 1-[(E)-(4-bromophenyl)methylideneamino]-4-phenylimidazol-2-amine?
The canonical SMILES for 1-[(E)-(4-bromophenyl)methylideneamino]-4-phenylimidazol-2-amine is Nc1nc(-c2ccccc2)cn1/N=C/c1ccc(Br)cc1.
What is the InChIKey of 1-[(E)-(4-bromophenyl)methylideneamino]-4-phenylimidazol-2-amine?
The InChIKey is XUSVLPMVGCDCMG-VXLYETTFSA-N. The full InChI is InChI=1S/C16H13BrN4/c17-14-8-6-12(7-9-14)10-19-21-11-15(20-16(21)18)13-4-2-1-3-5-13/h1-11H,(H2,18,20)/b19-10+.
What are the key properties of 1-[(E)-(4-bromophenyl)methylideneamino]-4-phenylimidazol-2-amine?
1-[(E)-(4-bromophenyl)methylideneamino]-4-phenylimidazol-2-amine has a molecular weight of 341.21 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(4-bromophenyl)methylideneamino]-4-phenylimidazol-2-amine is sourced from PubChem (CID 45378507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).