1-[(E)-(4-chlorophenyl)methylideneamino]-4-pyridin-2-ylimidazol-2-amine

C15H12ClN5 — CID 21055055

IUPAC1-[(E)-(4-chlorophenyl)methylideneamino]-4-pyridin-2-ylimidazol-2-amine
SMILESNc1nc(-c2ccccn2)cn1/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C15H12ClN5/c16-12-6-4-11(5-7-12)9-19-21-10-14(20-15(21)17)13-3-1-2-8-18-13/h1-10H,(H2,17,20)/b19-9+
InChIKeyWHDSLTYXQSYRST-DJKKODMXSA-N
MW297.75 g/mol
LogP3.06
Rot. Bonds3

About 1-[(E)-(4-chlorophenyl)methylideneamino]-4-pyridin-2-ylimidazol-2-amine

1-[(E)-(4-chlorophenyl)methylideneamino]-4-pyridin-2-ylimidazol-2-amine (PubChem CID 21055055) has the molecular formula C15H12ClN5 and a molecular weight of 297.75 g/mol. Its IUPAC name is 1-[(E)-(4-chlorophenyl)methylideneamino]-4-pyridin-2-ylimidazol-2-amine.

Molecular Properties

Compound Name1-[(E)-(4-chlorophenyl)methylideneamino]-4-pyridin-2-ylimidazol-2-amine
PubChem CID21055055
Molecular FormulaC15H12ClN5
Molecular Weight297.75 g/mol
Exact Mass297.08
IUPAC Name1-[(E)-(4-chlorophenyl)methylideneamino]-4-pyridin-2-ylimidazol-2-amine
SMILESNc1nc(-c2ccccn2)cn1/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C15H12ClN5/c16-12-6-4-11(5-7-12)9-19-21-10-14(20-15(21)17)13-3-1-2-8-18-13/h1-10H,(H2,17,20)/b19-9+
InChIKeyWHDSLTYXQSYRST-DJKKODMXSA-N
XLogP3.06
TPSA69.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.75
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-chlorophenyl)methylideneamino]-4-pyridin-2-ylimidazol-2-amine?
The IUPAC name of 1-[(E)-(4-chlorophenyl)methylideneamino]-4-pyridin-2-ylimidazol-2-amine (CID 21055055) is 1-[(E)-(4-chlorophenyl)methylideneamino]-4-pyridin-2-ylimidazol-2-amine.
What is the SMILES notation for 1-[(E)-(4-chlorophenyl)methylideneamino]-4-pyridin-2-ylimidazol-2-amine?
The canonical SMILES for 1-[(E)-(4-chlorophenyl)methylideneamino]-4-pyridin-2-ylimidazol-2-amine is Nc1nc(-c2ccccn2)cn1/N=C/c1ccc(Cl)cc1.
What is the InChIKey of 1-[(E)-(4-chlorophenyl)methylideneamino]-4-pyridin-2-ylimidazol-2-amine?
The InChIKey is WHDSLTYXQSYRST-DJKKODMXSA-N. The full InChI is InChI=1S/C15H12ClN5/c16-12-6-4-11(5-7-12)9-19-21-10-14(20-15(21)17)13-3-1-2-8-18-13/h1-10H,(H2,17,20)/b19-9+.
What are the key properties of 1-[(E)-(4-chlorophenyl)methylideneamino]-4-pyridin-2-ylimidazol-2-amine?
1-[(E)-(4-chlorophenyl)methylideneamino]-4-pyridin-2-ylimidazol-2-amine has a molecular weight of 297.75 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(4-chlorophenyl)methylideneamino]-4-pyridin-2-ylimidazol-2-amine is sourced from PubChem (CID 21055055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).