1-[(2-chlorophenyl)methyl]-5-[(E)-(4-chlorophenyl)methylideneamino]imidazole-4-carbonitrile

C18H12Cl2N4 — CID 122186729

IUPAC1-[(2-chlorophenyl)methyl]-5-[(E)-(4-chlorophenyl)methylideneamino]imidazole-4-carbonitrile
SMILESN#Cc1ncn(Cc2ccccc2Cl)c1/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C18H12Cl2N4/c19-15-7-5-13(6-8-15)10-22-18-17(9-21)23-12-24(18)11-14-3-1-2-4-16(14)20/h1-8,10,12H,11H2/b22-10+
InChIKeyLZWKSBGBACIDOK-LSHDLFTRSA-N
MW355.23 g/mol
LogP4.86
Rot. Bonds4

About 1-[(2-chlorophenyl)methyl]-5-[(E)-(4-chlorophenyl)methylideneamino]imidazole-4-carbonitrile

1-[(2-chlorophenyl)methyl]-5-[(E)-(4-chlorophenyl)methylideneamino]imidazole-4-carbonitrile (PubChem CID 122186729) has the molecular formula C18H12Cl2N4 and a molecular weight of 355.23 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-5-[(E)-(4-chlorophenyl)methylideneamino]imidazole-4-carbonitrile.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-5-[(E)-(4-chlorophenyl)methylideneamino]imidazole-4-carbonitrile
PubChem CID122186729
Molecular FormulaC18H12Cl2N4
Molecular Weight355.23 g/mol
Exact Mass354.04
IUPAC Name1-[(2-chlorophenyl)methyl]-5-[(E)-(4-chlorophenyl)methylideneamino]imidazole-4-carbonitrile
SMILESN#Cc1ncn(Cc2ccccc2Cl)c1/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C18H12Cl2N4/c19-15-7-5-13(6-8-15)10-22-18-17(9-21)23-12-24(18)11-14-3-1-2-4-16(14)20/h1-8,10,12H,11H2/b22-10+
InChIKeyLZWKSBGBACIDOK-LSHDLFTRSA-N
XLogP4.86
TPSA53.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 54.86
H-Bond Donors ≤ 50
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-[(2-chlorophenyl)methyl]-5-[(E)-(4-chlorophenyl)methylideneamino]imidazole-4-carbonitrile?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-5-[(E)-(4-chlorophenyl)methylideneamino]imidazole-4-carbonitrile (CID 122186729) is 1-[(2-chlorophenyl)methyl]-5-[(E)-(4-chlorophenyl)methylideneamino]imidazole-4-carbonitrile.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-5-[(E)-(4-chlorophenyl)methylideneamino]imidazole-4-carbonitrile?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-5-[(E)-(4-chlorophenyl)methylideneamino]imidazole-4-carbonitrile is N#Cc1ncn(Cc2ccccc2Cl)c1/N=C/c1ccc(Cl)cc1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-5-[(E)-(4-chlorophenyl)methylideneamino]imidazole-4-carbonitrile?
The InChIKey is LZWKSBGBACIDOK-LSHDLFTRSA-N. The full InChI is InChI=1S/C18H12Cl2N4/c19-15-7-5-13(6-8-15)10-22-18-17(9-21)23-12-24(18)11-14-3-1-2-4-16(14)20/h1-8,10,12H,11H2/b22-10+.
What are the key properties of 1-[(2-chlorophenyl)methyl]-5-[(E)-(4-chlorophenyl)methylideneamino]imidazole-4-carbonitrile?
1-[(2-chlorophenyl)methyl]-5-[(E)-(4-chlorophenyl)methylideneamino]imidazole-4-carbonitrile has a molecular weight of 355.23 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-5-[(E)-(4-chlorophenyl)methylideneamino]imidazole-4-carbonitrile is sourced from PubChem (CID 122186729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).