4-imidazol-1-yl-2-N-phenylbenzene-1,2-diamine

C15H14N4 — CID 10753186

IUPAC4-imidazol-1-yl-2-N-phenylbenzene-1,2-diamine
SMILESNc1ccc(-n2ccnc2)cc1Nc1ccccc1
InChIInChI=1S/C15H14N4/c16-14-7-6-13(19-9-8-17-11-19)10-15(14)18-12-4-2-1-3-5-12/h1-11,18H,16H2
InChIKeyOFFMBYBBALCJIW-UHFFFAOYSA-N
MW250.31 g/mol
LogP3.20
Rot. Bonds3

About 4-imidazol-1-yl-2-N-phenylbenzene-1,2-diamine

4-imidazol-1-yl-2-N-phenylbenzene-1,2-diamine (PubChem CID 10753186) has the molecular formula C15H14N4 and a molecular weight of 250.31 g/mol. Its IUPAC name is 4-imidazol-1-yl-2-N-phenylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-imidazol-1-yl-2-N-phenylbenzene-1,2-diamine
PubChem CID10753186
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC Name4-imidazol-1-yl-2-N-phenylbenzene-1,2-diamine
SMILESNc1ccc(-n2ccnc2)cc1Nc1ccccc1
InChIInChI=1S/C15H14N4/c16-14-7-6-13(19-9-8-17-11-19)10-15(14)18-12-4-2-1-3-5-12/h1-11,18H,16H2
InChIKeyOFFMBYBBALCJIW-UHFFFAOYSA-N
XLogP3.20
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-2-N-phenylbenzene-1,2-diamine?
The IUPAC name of 4-imidazol-1-yl-2-N-phenylbenzene-1,2-diamine (CID 10753186) is 4-imidazol-1-yl-2-N-phenylbenzene-1,2-diamine.
What is the SMILES notation for 4-imidazol-1-yl-2-N-phenylbenzene-1,2-diamine?
The canonical SMILES for 4-imidazol-1-yl-2-N-phenylbenzene-1,2-diamine is Nc1ccc(-n2ccnc2)cc1Nc1ccccc1.
What is the InChIKey of 4-imidazol-1-yl-2-N-phenylbenzene-1,2-diamine?
The InChIKey is OFFMBYBBALCJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4/c16-14-7-6-13(19-9-8-17-11-19)10-15(14)18-12-4-2-1-3-5-12/h1-11,18H,16H2.
What are the key properties of 4-imidazol-1-yl-2-N-phenylbenzene-1,2-diamine?
4-imidazol-1-yl-2-N-phenylbenzene-1,2-diamine has a molecular weight of 250.31 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-2-N-phenylbenzene-1,2-diamine is sourced from PubChem (CID 10753186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).