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

C21H20ClN3O — CID 25198105

IUPAC(Z)-5-chloro-2-(imidazol-1-ylmethyl)-N-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-imine
SMILESClc1cccc2c1CCC(Cn1ccnc1)/C2=N/OCc1ccccc1
InChIInChI=1S/C21H20ClN3O/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-
InChIKeyUEIXYWMZTTWIMC-FLFQWRMESA-N
MW365.86 g/mol
LogP4.72
Rot. Bonds5

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

(Z)-5-chloro-2-(imidazol-1-ylmethyl)-N-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-imine (PubChem CID 25198105) has the molecular formula C21H20ClN3O and a molecular weight of 365.86 g/mol. Its IUPAC name is (Z)-5-chloro-2-(imidazol-1-ylmethyl)-N-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-imine.

Molecular Properties

Compound Name(Z)-5-chloro-2-(imidazol-1-ylmethyl)-N-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-imine
PubChem CID25198105
Molecular FormulaC21H20ClN3O
Molecular Weight365.86 g/mol
Exact Mass365.13
IUPAC Name(Z)-5-chloro-2-(imidazol-1-ylmethyl)-N-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-imine
SMILESClc1cccc2c1CCC(Cn1ccnc1)/C2=N/OCc1ccccc1
InChIInChI=1S/C21H20ClN3O/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-
InChIKeyUEIXYWMZTTWIMC-FLFQWRMESA-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'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-5-chloro-2-(imidazol-1-ylmethyl)-N-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-imine?
The IUPAC name of (Z)-5-chloro-2-(imidazol-1-ylmethyl)-N-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-imine (CID 25198105) is (Z)-5-chloro-2-(imidazol-1-ylmethyl)-N-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-imine.
What is the SMILES notation for (Z)-5-chloro-2-(imidazol-1-ylmethyl)-N-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-imine?
The canonical SMILES for (Z)-5-chloro-2-(imidazol-1-ylmethyl)-N-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-imine is Clc1cccc2c1CCC(Cn1ccnc1)/C2=N/OCc1ccccc1.
What is the InChIKey of (Z)-5-chloro-2-(imidazol-1-ylmethyl)-N-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-imine?
The InChIKey is UEIXYWMZTTWIMC-FLFQWRMESA-N. The full InChI is InChI=1S/C21H20ClN3O/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-chloro-2-(imidazol-1-ylmethyl)-N-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-imine?
(Z)-5-chloro-2-(imidazol-1-ylmethyl)-N-phenylmethoxy-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 (Z)-5-chloro-2-(imidazol-1-ylmethyl)-N-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-imine is sourced from PubChem (CID 25198105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).