(Z)-N-[(3-chlorophenyl)methoxy]-2-(imidazol-1-ylmethyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-imine

C22H22ClN3O — CID 25198103

IUPAC(Z)-N-[(3-chlorophenyl)methoxy]-2-(imidazol-1-ylmethyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-imine
SMILESCc1cccc2c1CCC(Cn1ccnc1)/C2=N/OCc1cccc(Cl)c1
InChIInChI=1S/C22H22ClN3O/c1-16-4-2-7-21-20(16)9-8-18(13-26-11-10-24-15-26)22(21)25-27-14-17-5-3-6-19(23)12-17/h2-7,10-12,15,18H,8-9,13-14H2,1H3/b25-22-
InChIKeyXQAOJSXURFTRBV-LVWGJNHUSA-N
MW379.89 g/mol
LogP5.03
Rot. Bonds5

About (Z)-N-[(3-chlorophenyl)methoxy]-2-(imidazol-1-ylmethyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-imine

(Z)-N-[(3-chlorophenyl)methoxy]-2-(imidazol-1-ylmethyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-imine (PubChem CID 25198103) has the molecular formula C22H22ClN3O and a molecular weight of 379.89 g/mol. Its IUPAC name is (Z)-N-[(3-chlorophenyl)methoxy]-2-(imidazol-1-ylmethyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-imine.

Molecular Properties

Compound Name(Z)-N-[(3-chlorophenyl)methoxy]-2-(imidazol-1-ylmethyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-imine
PubChem CID25198103
Molecular FormulaC22H22ClN3O
Molecular Weight379.89 g/mol
Exact Mass379.15
IUPAC Name(Z)-N-[(3-chlorophenyl)methoxy]-2-(imidazol-1-ylmethyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-imine
SMILESCc1cccc2c1CCC(Cn1ccnc1)/C2=N/OCc1cccc(Cl)c1
InChIInChI=1S/C22H22ClN3O/c1-16-4-2-7-21-20(16)9-8-18(13-26-11-10-24-15-26)22(21)25-27-14-17-5-3-6-19(23)12-17/h2-7,10-12,15,18H,8-9,13-14H2,1H3/b25-22-
InChIKeyXQAOJSXURFTRBV-LVWGJNHUSA-N
XLogP5.03
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.89
LogP ≤ 55.03
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)-N-[(3-chlorophenyl)methoxy]-2-(imidazol-1-ylmethyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-imine?
The IUPAC name of (Z)-N-[(3-chlorophenyl)methoxy]-2-(imidazol-1-ylmethyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-imine (CID 25198103) is (Z)-N-[(3-chlorophenyl)methoxy]-2-(imidazol-1-ylmethyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-imine.
What is the SMILES notation for (Z)-N-[(3-chlorophenyl)methoxy]-2-(imidazol-1-ylmethyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-imine?
The canonical SMILES for (Z)-N-[(3-chlorophenyl)methoxy]-2-(imidazol-1-ylmethyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-imine is Cc1cccc2c1CCC(Cn1ccnc1)/C2=N/OCc1cccc(Cl)c1.
What is the InChIKey of (Z)-N-[(3-chlorophenyl)methoxy]-2-(imidazol-1-ylmethyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-imine?
The InChIKey is XQAOJSXURFTRBV-LVWGJNHUSA-N. The full InChI is InChI=1S/C22H22ClN3O/c1-16-4-2-7-21-20(16)9-8-18(13-26-11-10-24-15-26)22(21)25-27-14-17-5-3-6-19(23)12-17/h2-7,10-12,15,18H,8-9,13-14H2,1H3/b25-22-.
What are the key properties of (Z)-N-[(3-chlorophenyl)methoxy]-2-(imidazol-1-ylmethyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-imine?
(Z)-N-[(3-chlorophenyl)methoxy]-2-(imidazol-1-ylmethyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-imine has a molecular weight of 379.89 g/mol, XLogP of 5.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(3-chlorophenyl)methoxy]-2-(imidazol-1-ylmethyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-imine is sourced from PubChem (CID 25198103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).