(Z)-5-bromo-2-(imidazol-1-ylmethyl)-N-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-imine

C21H20BrN3O — CID 25198107

IUPAC(Z)-5-bromo-2-(imidazol-1-ylmethyl)-N-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-imine
SMILESBrc1cccc2c1CCC(Cn1ccnc1)/C2=N/OCc1ccccc1
InChIInChI=1S/C21H20BrN3O/c22-20-8-4-7-19-18(20)10-9-17(13-25-12-11-23-15-25)21(19)24-26-14-16-5-2-1-3-6-16/h1-8,11-12,15,17H,9-10,13-14H2/b24-21-
InChIKeyVKBZQHADNHLLNX-FLFQWRMESA-N
MW410.32 g/mol
LogP4.83
Rot. Bonds5

About (Z)-5-bromo-2-(imidazol-1-ylmethyl)-N-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-imine

(Z)-5-bromo-2-(imidazol-1-ylmethyl)-N-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-imine (PubChem CID 25198107) has the molecular formula C21H20BrN3O and a molecular weight of 410.32 g/mol. Its IUPAC name is (Z)-5-bromo-2-(imidazol-1-ylmethyl)-N-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-imine.

Molecular Properties

Compound Name(Z)-5-bromo-2-(imidazol-1-ylmethyl)-N-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-imine
PubChem CID25198107
Molecular FormulaC21H20BrN3O
Molecular Weight410.32 g/mol
Exact Mass409.08
IUPAC Name(Z)-5-bromo-2-(imidazol-1-ylmethyl)-N-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-imine
SMILESBrc1cccc2c1CCC(Cn1ccnc1)/C2=N/OCc1ccccc1
InChIInChI=1S/C21H20BrN3O/c22-20-8-4-7-19-18(20)10-9-17(13-25-12-11-23-15-25)21(19)24-26-14-16-5-2-1-3-6-16/h1-8,11-12,15,17H,9-10,13-14H2/b24-21-
InChIKeyVKBZQHADNHLLNX-FLFQWRMESA-N
XLogP4.83
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.32
LogP ≤ 54.83
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)-5-bromo-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

Related Compounds

[(Z)-(2-imidazol-1-yl-1-naphthalen-2-ylethylidene)amino] 3-bromobenzoate
CID 70687049
1-(4-fluorophenyl)-2-imidazol-1-yl-N-(1-naphthylmethoxy)ethanimine
CID 5480609
Ethanone, 1-(4-fluorophenyl)-2-(1H-imidazol-1-yl)-, O-(1-naphthalenylmethyl)oxime, (1Z)-
CID 5480610
2-imidazol-1-yl-1-phenyl-N-[(4-phenylphenyl)methoxy]ethanimine
CID 5482480
(Z)-2-imidazol-1-yl-1-phenyl-N-[(4-phenylphenyl)methoxy]ethanimine
CID 5482484
(1Z)-3,4-Dihydro-2-(1H-imidazol-1-ylmethyl)-1(2H)-naphthalenone O-(phenylmethyl)oxime
CID 25197955
(Z)-2-(imidazol-1-ylmethyl)-5-methyl-N-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-imine
CID 25197957
(Z)-N-[(3-chlorophenyl)methoxy]-2-(imidazol-1-ylmethyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-imine
CID 25198103
(Z)-5-chloro-2-(imidazol-1-ylmethyl)-N-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-imine
CID 25198105
(E)-N-[(3-chlorophenyl)methoxy]-2-(imidazol-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-imine
CID 25198250
(E)-5-chloro-2-(imidazol-1-ylmethyl)-N-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-imine
CID 25198251
(E)-5-bromo-N-[(3-chlorophenyl)methoxy]-2-(imidazol-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-imine
CID 25198393

Frequently Asked Questions

What is the IUPAC name of (Z)-5-bromo-2-(imidazol-1-ylmethyl)-N-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-imine?
The IUPAC name of (Z)-5-bromo-2-(imidazol-1-ylmethyl)-N-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-imine (CID 25198107) is (Z)-5-bromo-2-(imidazol-1-ylmethyl)-N-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-imine.
What is the SMILES notation for (Z)-5-bromo-2-(imidazol-1-ylmethyl)-N-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-imine?
The canonical SMILES for (Z)-5-bromo-2-(imidazol-1-ylmethyl)-N-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-imine is Brc1cccc2c1CCC(Cn1ccnc1)/C2=N/OCc1ccccc1.
What is the InChIKey of (Z)-5-bromo-2-(imidazol-1-ylmethyl)-N-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-imine?
The InChIKey is VKBZQHADNHLLNX-FLFQWRMESA-N. The full InChI is InChI=1S/C21H20BrN3O/c22-20-8-4-7-19-18(20)10-9-17(13-25-12-11-23-15-25)21(19)24-26-14-16-5-2-1-3-6-16/h1-8,11-12,15,17H,9-10,13-14H2/b24-21-.
What are the key properties of (Z)-5-bromo-2-(imidazol-1-ylmethyl)-N-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-imine?
(Z)-5-bromo-2-(imidazol-1-ylmethyl)-N-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-imine has a molecular weight of 410.32 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-bromo-2-(imidazol-1-ylmethyl)-N-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-imine is sourced from PubChem (CID 25198107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).