(E)-N-[(E)-(1-benzylimidazol-2-yl)methylideneamino]-1-(4-chlorophenyl)ethanimine

C19H17ClN4 — CID 5392317

IUPAC(E)-N-[(E)-(1-benzylimidazol-2-yl)methylideneamino]-1-(4-chlorophenyl)ethanimine
SMILESC/C(=N\N=C\c1nccn1Cc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H17ClN4/c1-15(17-7-9-18(20)10-8-17)23-22-13-19-21-11-12-24(19)14-16-5-3-2-4-6-16/h2-13H,14H2,1H3/b22-13+,23-15+
InChIKeyOCVCKUMUYNDMJK-JWIKZEKMSA-N
MW336.83 g/mol
LogP4.43
Rot. Bonds5

About (E)-N-[(E)-(1-benzylimidazol-2-yl)methylideneamino]-1-(4-chlorophenyl)ethanimine

(E)-N-[(E)-(1-benzylimidazol-2-yl)methylideneamino]-1-(4-chlorophenyl)ethanimine (PubChem CID 5392317) has the molecular formula C19H17ClN4 and a molecular weight of 336.83 g/mol. Its IUPAC name is (E)-N-[(E)-(1-benzylimidazol-2-yl)methylideneamino]-1-(4-chlorophenyl)ethanimine.

Molecular Properties

Compound Name(E)-N-[(E)-(1-benzylimidazol-2-yl)methylideneamino]-1-(4-chlorophenyl)ethanimine
PubChem CID5392317
Molecular FormulaC19H17ClN4
Molecular Weight336.83 g/mol
Exact Mass336.11
IUPAC Name(E)-N-[(E)-(1-benzylimidazol-2-yl)methylideneamino]-1-(4-chlorophenyl)ethanimine
SMILESC/C(=N\N=C\c1nccn1Cc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H17ClN4/c1-15(17-7-9-18(20)10-8-17)23-22-13-19-21-11-12-24(19)14-16-5-3-2-4-6-16/h2-13H,14H2,1H3/b22-13+,23-15+
InChIKeyOCVCKUMUYNDMJK-JWIKZEKMSA-N
XLogP4.43
TPSA42.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.83
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[(E)-(1-benzylimidazol-2-yl)methylideneamino]-1-(4-chlorophenyl)ethanimine?
The IUPAC name of (E)-N-[(E)-(1-benzylimidazol-2-yl)methylideneamino]-1-(4-chlorophenyl)ethanimine (CID 5392317) is (E)-N-[(E)-(1-benzylimidazol-2-yl)methylideneamino]-1-(4-chlorophenyl)ethanimine.
What is the SMILES notation for (E)-N-[(E)-(1-benzylimidazol-2-yl)methylideneamino]-1-(4-chlorophenyl)ethanimine?
The canonical SMILES for (E)-N-[(E)-(1-benzylimidazol-2-yl)methylideneamino]-1-(4-chlorophenyl)ethanimine is C/C(=N\N=C\c1nccn1Cc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of (E)-N-[(E)-(1-benzylimidazol-2-yl)methylideneamino]-1-(4-chlorophenyl)ethanimine?
The InChIKey is OCVCKUMUYNDMJK-JWIKZEKMSA-N. The full InChI is InChI=1S/C19H17ClN4/c1-15(17-7-9-18(20)10-8-17)23-22-13-19-21-11-12-24(19)14-16-5-3-2-4-6-16/h2-13H,14H2,1H3/b22-13+,23-15+.
What are the key properties of (E)-N-[(E)-(1-benzylimidazol-2-yl)methylideneamino]-1-(4-chlorophenyl)ethanimine?
(E)-N-[(E)-(1-benzylimidazol-2-yl)methylideneamino]-1-(4-chlorophenyl)ethanimine has a molecular weight of 336.83 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(E)-(1-benzylimidazol-2-yl)methylideneamino]-1-(4-chlorophenyl)ethanimine is sourced from PubChem (CID 5392317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).