1-[(E)-(4-chlorophenyl)methylideneamino]-4-(2-methoxyphenyl)imidazol-2-amine

C17H15ClN4O — CID 21055053

IUPAC1-[(E)-(4-chlorophenyl)methylideneamino]-4-(2-methoxyphenyl)imidazol-2-amine
SMILESCOc1ccccc1-c1cn(/N=C/c2ccc(Cl)cc2)c(N)n1
InChIInChI=1S/C17H15ClN4O/c1-23-16-5-3-2-4-14(16)15-11-22(17(19)21-15)20-10-12-6-8-13(18)9-7-12/h2-11H,1H3,(H2,19,21)/b20-10+
InChIKeyPDOYFURZGSYXAV-KEBDBYFISA-N
MW326.79 g/mol
LogP3.68
Rot. Bonds4

About 1-[(E)-(4-chlorophenyl)methylideneamino]-4-(2-methoxyphenyl)imidazol-2-amine

1-[(E)-(4-chlorophenyl)methylideneamino]-4-(2-methoxyphenyl)imidazol-2-amine (PubChem CID 21055053) has the molecular formula C17H15ClN4O and a molecular weight of 326.79 g/mol. Its IUPAC name is 1-[(E)-(4-chlorophenyl)methylideneamino]-4-(2-methoxyphenyl)imidazol-2-amine.

Molecular Properties

Compound Name1-[(E)-(4-chlorophenyl)methylideneamino]-4-(2-methoxyphenyl)imidazol-2-amine
PubChem CID21055053
Molecular FormulaC17H15ClN4O
Molecular Weight326.79 g/mol
Exact Mass326.09
IUPAC Name1-[(E)-(4-chlorophenyl)methylideneamino]-4-(2-methoxyphenyl)imidazol-2-amine
SMILESCOc1ccccc1-c1cn(/N=C/c2ccc(Cl)cc2)c(N)n1
InChIInChI=1S/C17H15ClN4O/c1-23-16-5-3-2-4-14(16)15-11-22(17(19)21-15)20-10-12-6-8-13(18)9-7-12/h2-11H,1H3,(H2,19,21)/b20-10+
InChIKeyPDOYFURZGSYXAV-KEBDBYFISA-N
XLogP3.68
TPSA65.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.79
LogP ≤ 53.68
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-(2-methoxyphenyl)imidazol-2-amine?
The IUPAC name of 1-[(E)-(4-chlorophenyl)methylideneamino]-4-(2-methoxyphenyl)imidazol-2-amine (CID 21055053) is 1-[(E)-(4-chlorophenyl)methylideneamino]-4-(2-methoxyphenyl)imidazol-2-amine.
What is the SMILES notation for 1-[(E)-(4-chlorophenyl)methylideneamino]-4-(2-methoxyphenyl)imidazol-2-amine?
The canonical SMILES for 1-[(E)-(4-chlorophenyl)methylideneamino]-4-(2-methoxyphenyl)imidazol-2-amine is COc1ccccc1-c1cn(/N=C/c2ccc(Cl)cc2)c(N)n1.
What is the InChIKey of 1-[(E)-(4-chlorophenyl)methylideneamino]-4-(2-methoxyphenyl)imidazol-2-amine?
The InChIKey is PDOYFURZGSYXAV-KEBDBYFISA-N. The full InChI is InChI=1S/C17H15ClN4O/c1-23-16-5-3-2-4-14(16)15-11-22(17(19)21-15)20-10-12-6-8-13(18)9-7-12/h2-11H,1H3,(H2,19,21)/b20-10+.
What are the key properties of 1-[(E)-(4-chlorophenyl)methylideneamino]-4-(2-methoxyphenyl)imidazol-2-amine?
1-[(E)-(4-chlorophenyl)methylideneamino]-4-(2-methoxyphenyl)imidazol-2-amine has a molecular weight of 326.79 g/mol, XLogP of 3.68, 4 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-(2-methoxyphenyl)imidazol-2-amine is sourced from PubChem (CID 21055053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).