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

C23H19N3O3 — CID 70684895

IUPAC[(Z)-(2-imidazol-1-yl-1-naphthalen-2-ylethylidene)amino] 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)O/N=C(\Cn1ccnc1)c1ccc2ccccc2c1
InChIInChI=1S/C23H19N3O3/c1-28-22-9-5-4-8-20(22)23(27)29-25-21(15-26-13-12-24-16-26)19-11-10-17-6-2-3-7-18(17)14-19/h2-14,16H,15H2,1H3/b25-21+
InChIKeyFQVXTTMGNCHJDZ-NJNXFGOHSA-N
MW385.42 g/mol
LogP4.31
Rot. Bonds6

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

[(Z)-(2-imidazol-1-yl-1-naphthalen-2-ylethylidene)amino] 2-methoxybenzoate (PubChem CID 70684895) 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] 2-methoxybenzoate.

Molecular Properties

Compound Name[(Z)-(2-imidazol-1-yl-1-naphthalen-2-ylethylidene)amino] 2-methoxybenzoate
PubChem CID70684895
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name[(Z)-(2-imidazol-1-yl-1-naphthalen-2-ylethylidene)amino] 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)O/N=C(\Cn1ccnc1)c1ccc2ccccc2c1
InChIInChI=1S/C23H19N3O3/c1-28-22-9-5-4-8-20(22)23(27)29-25-21(15-26-13-12-24-16-26)19-11-10-17-6-2-3-7-18(17)14-19/h2-14,16H,15H2,1H3/b25-21+
InChIKeyFQVXTTMGNCHJDZ-NJNXFGOHSA-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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Related Compounds

4-[6-(2-Dimethylamino-1-imidazol-1-yl-propyl)-naphthalen-2-yloxymethyl]-benzoic acid methyl ester
CID 11495962
3-[6-(2-Dimethylamino-1-imidazol-1-yl-propyl)-naphthalen-2-yloxymethyl]-benzoic acid methyl ester
CID 11510548
4-[6-(2-Dimethylamino-1-imidazol-1-yl-propyl)-naphthalen-2-yloxymethyl]-benzoic acid
CID 11750760
Ethanone, 2-(1H-imidazol-1-yl)-1-(6-methoxy-2-naphthalenyl)-, monohydrochloride
CID 3058921
[(Z)-[1-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-imidazol-1-ylethylidene]amino] naphthalene-2-carboxylate
CID 168288959
[(Z)-(2-imidazol-1-yl-1-naphthalen-2-ylethylidene)amino] 4-methylbenzoate
CID 70682814
[(Z)-(2-imidazol-1-yl-1-naphthalen-2-ylethylidene)amino] 4-phenylbenzoate;hydrochloride
CID 70682816
[(Z)-(2-imidazol-1-yl-1-naphthalen-2-ylethylidene)amino] 3-methylbenzoate
CID 70684894
[(Z)-(2-imidazol-1-yl-1-naphthalen-2-ylethylidene)amino] benzoate
CID 70689141
[(Z)-(2-imidazol-1-yl-1-naphthalen-2-ylethylidene)amino] 2-methylbenzoate
CID 70691232
[(Z)-(2-imidazol-1-yl-1-naphthalen-2-ylethylidene)amino] 4-methoxybenzoate
CID 70693344
[(Z)-(2-imidazol-1-yl-1-naphthalen-2-ylethylidene)amino] 3-methoxybenzoate
CID 70695448

Frequently Asked Questions

What is the IUPAC name of [(Z)-(2-imidazol-1-yl-1-naphthalen-2-ylethylidene)amino] 2-methoxybenzoate?
The IUPAC name of [(Z)-(2-imidazol-1-yl-1-naphthalen-2-ylethylidene)amino] 2-methoxybenzoate (CID 70684895) is [(Z)-(2-imidazol-1-yl-1-naphthalen-2-ylethylidene)amino] 2-methoxybenzoate.
What is the SMILES notation for [(Z)-(2-imidazol-1-yl-1-naphthalen-2-ylethylidene)amino] 2-methoxybenzoate?
The canonical SMILES for [(Z)-(2-imidazol-1-yl-1-naphthalen-2-ylethylidene)amino] 2-methoxybenzoate is COc1ccccc1C(=O)O/N=C(\Cn1ccnc1)c1ccc2ccccc2c1.
What is the InChIKey of [(Z)-(2-imidazol-1-yl-1-naphthalen-2-ylethylidene)amino] 2-methoxybenzoate?
The InChIKey is FQVXTTMGNCHJDZ-NJNXFGOHSA-N. The full InChI is InChI=1S/C23H19N3O3/c1-28-22-9-5-4-8-20(22)23(27)29-25-21(15-26-13-12-24-16-26)19-11-10-17-6-2-3-7-18(17)14-19/h2-14,16H,15H2,1H3/b25-21+.
What are the key properties of [(Z)-(2-imidazol-1-yl-1-naphthalen-2-ylethylidene)amino] 2-methoxybenzoate?
[(Z)-(2-imidazol-1-yl-1-naphthalen-2-ylethylidene)amino] 2-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] 2-methoxybenzoate is sourced from PubChem (CID 70684895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).