(E)-N-[(3-chlorophenyl)methoxy]-2-(imidazol-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-imine

C21H20ClN3O — CID 25198250

IUPAC(E)-N-[(3-chlorophenyl)methoxy]-2-(imidazol-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-imine
SMILESClc1cccc(CO/N=C2/c3ccccc3CCC2Cn2ccnc2)c1
InChIInChI=1S/C21H20ClN3O/c22-19-6-3-4-16(12-19)14-26-24-21-18(13-25-11-10-23-15-25)9-8-17-5-1-2-7-20(17)21/h1-7,10-12,15,18H,8-9,13-14H2/b24-21+
InChIKeyQVCWNOOYPWQRKH-DARPEHSRSA-N
MW365.86 g/mol
LogP4.72
Rot. Bonds5

About (E)-N-[(3-chlorophenyl)methoxy]-2-(imidazol-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-imine

(E)-N-[(3-chlorophenyl)methoxy]-2-(imidazol-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-imine (PubChem CID 25198250) has the molecular formula C21H20ClN3O and a molecular weight of 365.86 g/mol. Its IUPAC name is (E)-N-[(3-chlorophenyl)methoxy]-2-(imidazol-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-imine.

Molecular Properties

Compound Name(E)-N-[(3-chlorophenyl)methoxy]-2-(imidazol-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-imine
PubChem CID25198250
Molecular FormulaC21H20ClN3O
Molecular Weight365.86 g/mol
Exact Mass365.13
IUPAC Name(E)-N-[(3-chlorophenyl)methoxy]-2-(imidazol-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-imine
SMILESClc1cccc(CO/N=C2/c3ccccc3CCC2Cn2ccnc2)c1
InChIInChI=1S/C21H20ClN3O/c22-19-6-3-4-16(12-19)14-26-24-21-18(13-25-11-10-23-15-25)9-8-17-5-1-2-7-20(17)21/h1-7,10-12,15,18H,8-9,13-14H2/b24-21+
InChIKeyQVCWNOOYPWQRKH-DARPEHSRSA-N
XLogP4.72
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 54.72
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 (E)-N-[(3-chlorophenyl)methoxy]-2-(imidazol-1-ylmethyl)-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 (E)-N-[(3-chlorophenyl)methoxy]-2-(imidazol-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-imine?
The IUPAC name of (E)-N-[(3-chlorophenyl)methoxy]-2-(imidazol-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-imine (CID 25198250) is (E)-N-[(3-chlorophenyl)methoxy]-2-(imidazol-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-imine.
What is the SMILES notation for (E)-N-[(3-chlorophenyl)methoxy]-2-(imidazol-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-imine?
The canonical SMILES for (E)-N-[(3-chlorophenyl)methoxy]-2-(imidazol-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-imine is Clc1cccc(CO/N=C2/c3ccccc3CCC2Cn2ccnc2)c1.
What is the InChIKey of (E)-N-[(3-chlorophenyl)methoxy]-2-(imidazol-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-imine?
The InChIKey is QVCWNOOYPWQRKH-DARPEHSRSA-N. The full InChI is InChI=1S/C21H20ClN3O/c22-19-6-3-4-16(12-19)14-26-24-21-18(13-25-11-10-23-15-25)9-8-17-5-1-2-7-20(17)21/h1-7,10-12,15,18H,8-9,13-14H2/b24-21+.
What are the key properties of (E)-N-[(3-chlorophenyl)methoxy]-2-(imidazol-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-imine?
(E)-N-[(3-chlorophenyl)methoxy]-2-(imidazol-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-imine has a molecular weight of 365.86 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(3-chlorophenyl)methoxy]-2-(imidazol-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-imine is sourced from PubChem (CID 25198250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).