(Z)-2-(imidazol-1-ylmethyl)-N-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-imine

C21H21N3O — CID 25197955

IUPAC(Z)-2-(imidazol-1-ylmethyl)-N-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-imine
SMILESc1ccc(CO/N=C2\c3ccccc3CCC2Cn2ccnc2)cc1
InChIInChI=1S/C21H21N3O/c1-2-6-17(7-3-1)15-25-23-21-19(14-24-13-12-22-16-24)11-10-18-8-4-5-9-20(18)21/h1-9,12-13,16,19H,10-11,14-15H2/b23-21-
InChIKeyCRSHMBRRKPORJL-LNVKXUELSA-N
MW331.42 g/mol
LogP4.07
Rot. Bonds5

About (Z)-2-(imidazol-1-ylmethyl)-N-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-imine

(Z)-2-(imidazol-1-ylmethyl)-N-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-imine (PubChem CID 25197955) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is (Z)-2-(imidazol-1-ylmethyl)-N-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-imine.

Molecular Properties

Compound Name(Z)-2-(imidazol-1-ylmethyl)-N-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-imine
PubChem CID25197955
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name(Z)-2-(imidazol-1-ylmethyl)-N-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-imine
SMILESc1ccc(CO/N=C2\c3ccccc3CCC2Cn2ccnc2)cc1
InChIInChI=1S/C21H21N3O/c1-2-6-17(7-3-1)15-25-23-21-19(14-24-13-12-22-16-24)11-10-18-8-4-5-9-20(18)21/h1-9,12-13,16,19H,10-11,14-15H2/b23-21-
InChIKeyCRSHMBRRKPORJL-LNVKXUELSA-N
XLogP4.07
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (Z)-2-(imidazol-1-ylmethyl)-N-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(imidazol-1-ylmethyl)-N-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-imine?
The IUPAC name of (Z)-2-(imidazol-1-ylmethyl)-N-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-imine (CID 25197955) is (Z)-2-(imidazol-1-ylmethyl)-N-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-imine.
What is the SMILES notation for (Z)-2-(imidazol-1-ylmethyl)-N-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-imine?
The canonical SMILES for (Z)-2-(imidazol-1-ylmethyl)-N-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-imine is c1ccc(CO/N=C2\c3ccccc3CCC2Cn2ccnc2)cc1.
What is the InChIKey of (Z)-2-(imidazol-1-ylmethyl)-N-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-imine?
The InChIKey is CRSHMBRRKPORJL-LNVKXUELSA-N. The full InChI is InChI=1S/C21H21N3O/c1-2-6-17(7-3-1)15-25-23-21-19(14-24-13-12-22-16-24)11-10-18-8-4-5-9-20(18)21/h1-9,12-13,16,19H,10-11,14-15H2/b23-21-.
What are the key properties of (Z)-2-(imidazol-1-ylmethyl)-N-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-imine?
(Z)-2-(imidazol-1-ylmethyl)-N-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-imine has a molecular weight of 331.42 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(imidazol-1-ylmethyl)-N-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-imine is sourced from PubChem (CID 25197955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).