[(Z)-(2-imidazol-1-yl-1-naphthalen-2-ylethylidene)amino] 4-methylbenzoate

C23H19N3O2 — CID 70682814

IUPAC[(Z)-(2-imidazol-1-yl-1-naphthalen-2-ylethylidene)amino] 4-methylbenzoate
SMILESCc1ccc(C(=O)O/N=C(\Cn2ccnc2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C23H19N3O2/c1-17-6-8-19(9-7-17)23(27)28-25-22(15-26-13-12-24-16-26)21-11-10-18-4-2-3-5-20(18)14-21/h2-14,16H,15H2,1H3/b25-22+
InChIKeyNBDJXRAUKSAUQZ-YYDJUVGSSA-N
MW369.42 g/mol
LogP4.61
Rot. Bonds5

About [(Z)-(2-imidazol-1-yl-1-naphthalen-2-ylethylidene)amino] 4-methylbenzoate

[(Z)-(2-imidazol-1-yl-1-naphthalen-2-ylethylidene)amino] 4-methylbenzoate (PubChem CID 70682814) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is [(Z)-(2-imidazol-1-yl-1-naphthalen-2-ylethylidene)amino] 4-methylbenzoate.

Molecular Properties

Compound Name[(Z)-(2-imidazol-1-yl-1-naphthalen-2-ylethylidene)amino] 4-methylbenzoate
PubChem CID70682814
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name[(Z)-(2-imidazol-1-yl-1-naphthalen-2-ylethylidene)amino] 4-methylbenzoate
SMILESCc1ccc(C(=O)O/N=C(\Cn2ccnc2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C23H19N3O2/c1-17-6-8-19(9-7-17)23(27)28-25-22(15-26-13-12-24-16-26)21-11-10-18-4-2-3-5-20(18)14-21/h2-14,16H,15H2,1H3/b25-22+
InChIKeyNBDJXRAUKSAUQZ-YYDJUVGSSA-N
XLogP4.61
TPSA56.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', '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 [(Z)-(2-imidazol-1-yl-1-naphthalen-2-ylethylidene)amino] 4-methylbenzoate?
The IUPAC name of [(Z)-(2-imidazol-1-yl-1-naphthalen-2-ylethylidene)amino] 4-methylbenzoate (CID 70682814) is [(Z)-(2-imidazol-1-yl-1-naphthalen-2-ylethylidene)amino] 4-methylbenzoate.
What is the SMILES notation for [(Z)-(2-imidazol-1-yl-1-naphthalen-2-ylethylidene)amino] 4-methylbenzoate?
The canonical SMILES for [(Z)-(2-imidazol-1-yl-1-naphthalen-2-ylethylidene)amino] 4-methylbenzoate is Cc1ccc(C(=O)O/N=C(\Cn2ccnc2)c2ccc3ccccc3c2)cc1.
What is the InChIKey of [(Z)-(2-imidazol-1-yl-1-naphthalen-2-ylethylidene)amino] 4-methylbenzoate?
The InChIKey is NBDJXRAUKSAUQZ-YYDJUVGSSA-N. The full InChI is InChI=1S/C23H19N3O2/c1-17-6-8-19(9-7-17)23(27)28-25-22(15-26-13-12-24-16-26)21-11-10-18-4-2-3-5-20(18)14-21/h2-14,16H,15H2,1H3/b25-22+.
What are the key properties of [(Z)-(2-imidazol-1-yl-1-naphthalen-2-ylethylidene)amino] 4-methylbenzoate?
[(Z)-(2-imidazol-1-yl-1-naphthalen-2-ylethylidene)amino] 4-methylbenzoate has a molecular weight of 369.42 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(2-imidazol-1-yl-1-naphthalen-2-ylethylidene)amino] 4-methylbenzoate is sourced from PubChem (CID 70682814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).