1-[(E)-(3,4-dichlorophenyl)methylideneamino]-4-phenylimidazol-2-amine

C16H12Cl2N4 — CID 45378641

IUPAC1-[(E)-(3,4-dichlorophenyl)methylideneamino]-4-phenylimidazol-2-amine
SMILESNc1nc(-c2ccccc2)cn1/N=C/c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H12Cl2N4/c17-13-7-6-11(8-14(13)18)9-20-22-10-15(21-16(22)19)12-4-2-1-3-5-12/h1-10H,(H2,19,21)/b20-9+
InChIKeyRATSVTIHRFUKFM-AWQFTUOYSA-N
MW331.21 g/mol
LogP4.32
Rot. Bonds3

About 1-[(E)-(3,4-dichlorophenyl)methylideneamino]-4-phenylimidazol-2-amine

1-[(E)-(3,4-dichlorophenyl)methylideneamino]-4-phenylimidazol-2-amine (PubChem CID 45378641) has the molecular formula C16H12Cl2N4 and a molecular weight of 331.21 g/mol. Its IUPAC name is 1-[(E)-(3,4-dichlorophenyl)methylideneamino]-4-phenylimidazol-2-amine.

Molecular Properties

Compound Name1-[(E)-(3,4-dichlorophenyl)methylideneamino]-4-phenylimidazol-2-amine
PubChem CID45378641
Molecular FormulaC16H12Cl2N4
Molecular Weight331.21 g/mol
Exact Mass330.04
IUPAC Name1-[(E)-(3,4-dichlorophenyl)methylideneamino]-4-phenylimidazol-2-amine
SMILESNc1nc(-c2ccccc2)cn1/N=C/c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H12Cl2N4/c17-13-7-6-11(8-14(13)18)9-20-22-10-15(21-16(22)19)12-4-2-1-3-5-12/h1-10H,(H2,19,21)/b20-9+
InChIKeyRATSVTIHRFUKFM-AWQFTUOYSA-N
XLogP4.32
TPSA56.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 54.32
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)-(3,4-dichlorophenyl)methylideneamino]-4-phenylimidazol-2-amine?
The IUPAC name of 1-[(E)-(3,4-dichlorophenyl)methylideneamino]-4-phenylimidazol-2-amine (CID 45378641) is 1-[(E)-(3,4-dichlorophenyl)methylideneamino]-4-phenylimidazol-2-amine.
What is the SMILES notation for 1-[(E)-(3,4-dichlorophenyl)methylideneamino]-4-phenylimidazol-2-amine?
The canonical SMILES for 1-[(E)-(3,4-dichlorophenyl)methylideneamino]-4-phenylimidazol-2-amine is Nc1nc(-c2ccccc2)cn1/N=C/c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[(E)-(3,4-dichlorophenyl)methylideneamino]-4-phenylimidazol-2-amine?
The InChIKey is RATSVTIHRFUKFM-AWQFTUOYSA-N. The full InChI is InChI=1S/C16H12Cl2N4/c17-13-7-6-11(8-14(13)18)9-20-22-10-15(21-16(22)19)12-4-2-1-3-5-12/h1-10H,(H2,19,21)/b20-9+.
What are the key properties of 1-[(E)-(3,4-dichlorophenyl)methylideneamino]-4-phenylimidazol-2-amine?
1-[(E)-(3,4-dichlorophenyl)methylideneamino]-4-phenylimidazol-2-amine has a molecular weight of 331.21 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(3,4-dichlorophenyl)methylideneamino]-4-phenylimidazol-2-amine is sourced from PubChem (CID 45378641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).