[(Z)-(2-imidazol-1-yl-1-naphthalen-2-ylethylidene)amino] propanoate;hydrochloride

C18H18ClN3O2 — CID 70687044

IUPAC[(Z)-(2-imidazol-1-yl-1-naphthalen-2-ylethylidene)amino] propanoate;hydrochloride
SMILESCCC(=O)O/N=C(\Cn1ccnc1)c1ccc2ccccc2c1.Cl
InChIInChI=1S/C18H17N3O2.ClH/c1-2-18(22)23-20-17(12-21-10-9-19-13-21)16-8-7-14-5-3-4-6-15(14)11-16;/h3-11,13H,2,12H2,1H3;1H/b20-17+;
InChIKeyIMXWTEAGKUANQG-SJEOTZHBSA-N
MW343.81 g/mol
LogP3.82
Rot. Bonds5

About [(Z)-(2-imidazol-1-yl-1-naphthalen-2-ylethylidene)amino] propanoate;hydrochloride

[(Z)-(2-imidazol-1-yl-1-naphthalen-2-ylethylidene)amino] propanoate;hydrochloride (PubChem CID 70687044) has the molecular formula C18H18ClN3O2 and a molecular weight of 343.81 g/mol. Its IUPAC name is [(Z)-(2-imidazol-1-yl-1-naphthalen-2-ylethylidene)amino] propanoate;hydrochloride.

Molecular Properties

Compound Name[(Z)-(2-imidazol-1-yl-1-naphthalen-2-ylethylidene)amino] propanoate;hydrochloride
PubChem CID70687044
Molecular FormulaC18H18ClN3O2
Molecular Weight343.81 g/mol
Exact Mass343.11
IUPAC Name[(Z)-(2-imidazol-1-yl-1-naphthalen-2-ylethylidene)amino] propanoate;hydrochloride
SMILESCCC(=O)O/N=C(\Cn1ccnc1)c1ccc2ccccc2c1.Cl
InChIInChI=1S/C18H17N3O2.ClH/c1-2-18(22)23-20-17(12-21-10-9-19-13-21)16-8-7-14-5-3-4-6-15(14)11-16;/h3-11,13H,2,12H2,1H3;1H/b20-17+;
InChIKeyIMXWTEAGKUANQG-SJEOTZHBSA-N
XLogP3.82
TPSA56.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 53.82
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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Related Compounds

1H-Imidazole, 1-(2-(2-naphthalenyl)ethyl)-, monohydrochloride
CID 3058925
[(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] (E)-2-methylbut-2-enoate;hydrochloride
CID 70684890
[(2-Imidazol-1-yl-1-naphthalen-2-ylethylidene)amino] cyclohexanecarboxylate;hydrochloride
CID 70684892
[(Z)-(2-imidazol-1-yl-1-naphthalen-2-ylethylidene)amino] 3-methylbenzoate
CID 70684894
[(Z)-(2-imidazol-1-yl-1-naphthalen-2-ylethylidene)amino] 3-methylbutanoate;hydrochloride
CID 70687046
[(Z)-(2-imidazol-1-yl-1-naphthalen-2-ylethylidene)amino] benzoate
CID 70689141
[(Z)-(2-imidazol-1-yl-1-naphthalen-2-ylethylidene)amino] pentanoate;hydrochloride
CID 70691228
[(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-oxo-4-phenylbutanoate
CID 70693342
[(2-Imidazol-1-yl-1-naphthalen-2-ylethylidene)amino] 2-propylpentanoate;hydrochloride
CID 70695444

Frequently Asked Questions

What is the IUPAC name of [(Z)-(2-imidazol-1-yl-1-naphthalen-2-ylethylidene)amino] propanoate;hydrochloride?
The IUPAC name of [(Z)-(2-imidazol-1-yl-1-naphthalen-2-ylethylidene)amino] propanoate;hydrochloride (CID 70687044) is [(Z)-(2-imidazol-1-yl-1-naphthalen-2-ylethylidene)amino] propanoate;hydrochloride.
What is the SMILES notation for [(Z)-(2-imidazol-1-yl-1-naphthalen-2-ylethylidene)amino] propanoate;hydrochloride?
The canonical SMILES for [(Z)-(2-imidazol-1-yl-1-naphthalen-2-ylethylidene)amino] propanoate;hydrochloride is CCC(=O)O/N=C(\Cn1ccnc1)c1ccc2ccccc2c1.Cl.
What is the InChIKey of [(Z)-(2-imidazol-1-yl-1-naphthalen-2-ylethylidene)amino] propanoate;hydrochloride?
The InChIKey is IMXWTEAGKUANQG-SJEOTZHBSA-N. The full InChI is InChI=1S/C18H17N3O2.ClH/c1-2-18(22)23-20-17(12-21-10-9-19-13-21)16-8-7-14-5-3-4-6-15(14)11-16;/h3-11,13H,2,12H2,1H3;1H/b20-17+;.
What are the key properties of [(Z)-(2-imidazol-1-yl-1-naphthalen-2-ylethylidene)amino] propanoate;hydrochloride?
[(Z)-(2-imidazol-1-yl-1-naphthalen-2-ylethylidene)amino] propanoate;hydrochloride has a molecular weight of 343.81 g/mol, XLogP of 3.82, 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] propanoate;hydrochloride is sourced from PubChem (CID 70687044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).