[(Z)-(2-imidazol-1-yl-1-naphthalen-2-ylethylidene)amino] 3-methoxybenzoate

C23H19N3O3 — CID 70695448

IUPAC[(Z)-(2-imidazol-1-yl-1-naphthalen-2-ylethylidene)amino] 3-methoxybenzoate
SMILESCOc1cccc(C(=O)O/N=C(\Cn2ccnc2)c2ccc3ccccc3c2)c1
InChIInChI=1S/C23H19N3O3/c1-28-21-8-4-7-20(14-21)23(27)29-25-22(15-26-12-11-24-16-26)19-10-9-17-5-2-3-6-18(17)13-19/h2-14,16H,15H2,1H3/b25-22+
InChIKeyHCQHSSYNWDGKQP-YYDJUVGSSA-N
MW385.42 g/mol
LogP4.31
Rot. Bonds6

About [(Z)-(2-imidazol-1-yl-1-naphthalen-2-ylethylidene)amino] 3-methoxybenzoate

[(Z)-(2-imidazol-1-yl-1-naphthalen-2-ylethylidene)amino] 3-methoxybenzoate (PubChem CID 70695448) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is [(Z)-(2-imidazol-1-yl-1-naphthalen-2-ylethylidene)amino] 3-methoxybenzoate.

Molecular Properties

Compound Name[(Z)-(2-imidazol-1-yl-1-naphthalen-2-ylethylidene)amino] 3-methoxybenzoate
PubChem CID70695448
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name[(Z)-(2-imidazol-1-yl-1-naphthalen-2-ylethylidene)amino] 3-methoxybenzoate
SMILESCOc1cccc(C(=O)O/N=C(\Cn2ccnc2)c2ccc3ccccc3c2)c1
InChIInChI=1S/C23H19N3O3/c1-28-21-8-4-7-20(14-21)23(27)29-25-22(15-26-12-11-24-16-26)19-10-9-17-5-2-3-6-18(17)13-19/h2-14,16H,15H2,1H3/b25-22+
InChIKeyHCQHSSYNWDGKQP-YYDJUVGSSA-N
XLogP4.31
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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] 3-methoxybenzoate?
The IUPAC name of [(Z)-(2-imidazol-1-yl-1-naphthalen-2-ylethylidene)amino] 3-methoxybenzoate (CID 70695448) is [(Z)-(2-imidazol-1-yl-1-naphthalen-2-ylethylidene)amino] 3-methoxybenzoate.
What is the SMILES notation for [(Z)-(2-imidazol-1-yl-1-naphthalen-2-ylethylidene)amino] 3-methoxybenzoate?
The canonical SMILES for [(Z)-(2-imidazol-1-yl-1-naphthalen-2-ylethylidene)amino] 3-methoxybenzoate is COc1cccc(C(=O)O/N=C(\Cn2ccnc2)c2ccc3ccccc3c2)c1.
What is the InChIKey of [(Z)-(2-imidazol-1-yl-1-naphthalen-2-ylethylidene)amino] 3-methoxybenzoate?
The InChIKey is HCQHSSYNWDGKQP-YYDJUVGSSA-N. The full InChI is InChI=1S/C23H19N3O3/c1-28-21-8-4-7-20(14-21)23(27)29-25-22(15-26-12-11-24-16-26)19-10-9-17-5-2-3-6-18(17)13-19/h2-14,16H,15H2,1H3/b25-22+.
What are the key properties of [(Z)-(2-imidazol-1-yl-1-naphthalen-2-ylethylidene)amino] 3-methoxybenzoate?
[(Z)-(2-imidazol-1-yl-1-naphthalen-2-ylethylidene)amino] 3-methoxybenzoate has a molecular weight of 385.42 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(2-imidazol-1-yl-1-naphthalen-2-ylethylidene)amino] 3-methoxybenzoate is sourced from PubChem (CID 70695448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).