N-[2-methoxy-3-(5-methyl-1,2,4-triazol-1-yl)phenyl]-1,1-diphenylmethanimine

C23H20N4O — CID 134455634

IUPACN-[2-methoxy-3-(5-methyl-1,2,4-triazol-1-yl)phenyl]-1,1-diphenylmethanimine
SMILESCOc1c(N=C(c2ccccc2)c2ccccc2)cccc1-n1ncnc1C
InChIInChI=1S/C23H20N4O/c1-17-24-16-25-27(17)21-15-9-14-20(23(21)28-2)26-22(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-16H,1-2H3
InChIKeyFJFUVAOGQOFADE-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.75
Rot. Bonds5

About N-[2-methoxy-3-(5-methyl-1,2,4-triazol-1-yl)phenyl]-1,1-diphenylmethanimine

N-[2-methoxy-3-(5-methyl-1,2,4-triazol-1-yl)phenyl]-1,1-diphenylmethanimine (PubChem CID 134455634) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[2-methoxy-3-(5-methyl-1,2,4-triazol-1-yl)phenyl]-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-[2-methoxy-3-(5-methyl-1,2,4-triazol-1-yl)phenyl]-1,1-diphenylmethanimine
PubChem CID134455634
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC NameN-[2-methoxy-3-(5-methyl-1,2,4-triazol-1-yl)phenyl]-1,1-diphenylmethanimine
SMILESCOc1c(N=C(c2ccccc2)c2ccccc2)cccc1-n1ncnc1C
InChIInChI=1S/C23H20N4O/c1-17-24-16-25-27(17)21-15-9-14-20(23(21)28-2)26-22(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-16H,1-2H3
InChIKeyFJFUVAOGQOFADE-UHFFFAOYSA-N
XLogP4.75
TPSA52.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxyphenyl)-4-[2-(5-methyl-1,2,4-triazol-1-yl)phenyl]piperazine
CID 70586248
1-(3,5-dimethylimidazol-4-yl)-N-(2-methoxyphenyl)-1-phenylmethanimine
CID 90462536
1-(furan-2-yl)-N-(2-methoxyphenyl)-1-phenylmethanimine
CID 90457693
N-(2-methoxyphenyl)-1-phenyl-1-thiophen-3-ylmethanimine
CID 90459317
N-(3-fluoro-2-methylindazol-7-yl)-1,1-diphenylmethanimine
CID 170968974
N-(5-fluoro-6-methoxy-2-methyl-3-pyridinyl)-1,1-diphenylmethanimine
CID 155435961
methyl 3-(benzhydrylideneamino)-5-methylpyridine-2-carboxylate
CID 163675552
N-(6-methoxyisoquinolin-4-yl)-1,1-diphenylmethanimine
CID 170773840
N-(3,5-dimethylimidazo[4,5-b]pyridin-6-yl)-1,1-diphenylmethanimine
CID 155332537
1-(2-methoxynaphthalen-1-yl)-N-(2-methylphenyl)-1-phenylmethanimine
CID 3777936
4-(benzhydrylideneamino)-3-methoxy-N,N-dimethylthiophene-2-carboxamide
CID 59675443
N-[1-(3-methoxypropyl)-3-methylpyrazol-4-yl]-1,1-diphenylmethanimine
CID 166161121

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-3-(5-methyl-1,2,4-triazol-1-yl)phenyl]-1,1-diphenylmethanimine?
The IUPAC name of N-[2-methoxy-3-(5-methyl-1,2,4-triazol-1-yl)phenyl]-1,1-diphenylmethanimine (CID 134455634) is N-[2-methoxy-3-(5-methyl-1,2,4-triazol-1-yl)phenyl]-1,1-diphenylmethanimine.
What is the SMILES notation for N-[2-methoxy-3-(5-methyl-1,2,4-triazol-1-yl)phenyl]-1,1-diphenylmethanimine?
The canonical SMILES for N-[2-methoxy-3-(5-methyl-1,2,4-triazol-1-yl)phenyl]-1,1-diphenylmethanimine is COc1c(N=C(c2ccccc2)c2ccccc2)cccc1-n1ncnc1C.
What is the InChIKey of N-[2-methoxy-3-(5-methyl-1,2,4-triazol-1-yl)phenyl]-1,1-diphenylmethanimine?
The InChIKey is FJFUVAOGQOFADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O/c1-17-24-16-25-27(17)21-15-9-14-20(23(21)28-2)26-22(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-16H,1-2H3.
What are the key properties of N-[2-methoxy-3-(5-methyl-1,2,4-triazol-1-yl)phenyl]-1,1-diphenylmethanimine?
N-[2-methoxy-3-(5-methyl-1,2,4-triazol-1-yl)phenyl]-1,1-diphenylmethanimine has a molecular weight of 368.44 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-3-(5-methyl-1,2,4-triazol-1-yl)phenyl]-1,1-diphenylmethanimine is sourced from PubChem (CID 134455634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).