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

C22H23N3O — CID 25197957

IUPAC(Z)-2-(imidazol-1-ylmethyl)-5-methyl-N-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-imine
SMILESCc1cccc2c1CCC(Cn1ccnc1)/C2=N/OCc1ccccc1
InChIInChI=1S/C22H23N3O/c1-17-6-5-9-21-20(17)11-10-19(14-25-13-12-23-16-25)22(21)24-26-15-18-7-3-2-4-8-18/h2-9,12-13,16,19H,10-11,14-15H2,1H3/b24-22-
InChIKeyOFFXBJHZOUXSKB-GYHWCHFESA-N
MW345.45 g/mol
LogP4.38
Rot. Bonds5

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

(Z)-2-(imidazol-1-ylmethyl)-5-methyl-N-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-imine (PubChem CID 25197957) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is (Z)-2-(imidazol-1-ylmethyl)-5-methyl-N-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-imine.

Molecular Properties

Compound Name(Z)-2-(imidazol-1-ylmethyl)-5-methyl-N-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-imine
PubChem CID25197957
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name(Z)-2-(imidazol-1-ylmethyl)-5-methyl-N-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-imine
SMILESCc1cccc2c1CCC(Cn1ccnc1)/C2=N/OCc1ccccc1
InChIInChI=1S/C22H23N3O/c1-17-6-5-9-21-20(17)11-10-19(14-25-13-12-23-16-25)22(21)24-26-15-18-7-3-2-4-8-18/h2-9,12-13,16,19H,10-11,14-15H2,1H3/b24-22-
InChIKeyOFFXBJHZOUXSKB-GYHWCHFESA-N
XLogP4.38
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.38
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)-2-(imidazol-1-ylmethyl)-5-methyl-N-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-imine?
The IUPAC name of (Z)-2-(imidazol-1-ylmethyl)-5-methyl-N-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-imine (CID 25197957) is (Z)-2-(imidazol-1-ylmethyl)-5-methyl-N-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-imine.
What is the SMILES notation for (Z)-2-(imidazol-1-ylmethyl)-5-methyl-N-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-imine?
The canonical SMILES for (Z)-2-(imidazol-1-ylmethyl)-5-methyl-N-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-imine is Cc1cccc2c1CCC(Cn1ccnc1)/C2=N/OCc1ccccc1.
What is the InChIKey of (Z)-2-(imidazol-1-ylmethyl)-5-methyl-N-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-imine?
The InChIKey is OFFXBJHZOUXSKB-GYHWCHFESA-N. The full InChI is InChI=1S/C22H23N3O/c1-17-6-5-9-21-20(17)11-10-19(14-25-13-12-23-16-25)22(21)24-26-15-18-7-3-2-4-8-18/h2-9,12-13,16,19H,10-11,14-15H2,1H3/b24-22-.
What are the key properties of (Z)-2-(imidazol-1-ylmethyl)-5-methyl-N-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-imine?
(Z)-2-(imidazol-1-ylmethyl)-5-methyl-N-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-imine has a molecular weight of 345.45 g/mol, XLogP of 4.38, 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)-5-methyl-N-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-imine is sourced from PubChem (CID 25197957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).