2-benzhydrylimino-1-(4-methoxyphenyl)ethanone

C22H19NO2 — CID 139818833

IUPAC2-benzhydrylimino-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)/C=N/C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H19NO2/c1-25-20-14-12-17(13-15-20)21(24)16-23-22(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-16,22H,1H3/b23-16+
InChIKeySLHQNGZEGZNQIT-XQNSMLJCSA-N
MW329.40 g/mol
LogP4.74
Rot. Bonds6

About 2-benzhydrylimino-1-(4-methoxyphenyl)ethanone

2-benzhydrylimino-1-(4-methoxyphenyl)ethanone (PubChem CID 139818833) has the molecular formula C22H19NO2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-benzhydrylimino-1-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-benzhydrylimino-1-(4-methoxyphenyl)ethanone
PubChem CID139818833
Molecular FormulaC22H19NO2
Molecular Weight329.40 g/mol
Exact Mass329.14
IUPAC Name2-benzhydrylimino-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)/C=N/C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H19NO2/c1-25-20-14-12-17(13-15-20)21(24)16-23-22(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-16,22H,1H3/b23-16+
InChIKeySLHQNGZEGZNQIT-XQNSMLJCSA-N
XLogP4.74
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-isocyano-1-(4-methoxyphenyl)-2-phenylethanone
CID 140853508
[[2-(4-methoxyphenyl)-2-oxoethylidene]amino]azaniumylideneazanide
CID 170923497
(E,3R)-7-(4-methoxyphenyl)-7-oxo-3-phenylhept-5-enal
CID 134950945
2-benzoyl-1-(4-methoxyphenyl)-3,4-diphenylbutane-1,4-dione
CID 122221336
(E)-3-(4-methoxyphenyl)-1-phenylpent-2-en-1-one
CID 135075979
2-(4-methoxyphenoxy)-1,2-diphenylethanone
CID 20722156
2-ethyl-1-(4-methoxyphenyl)-3-phenylpropane-1,3-dione
CID 102585480
[3,3-bis(4-methoxyphenyl)-1-phenylprop-2-enyl] acetate
CID 11760893
(2S)-3-(4-methoxyphenyl)-3-oxo-2-phenylpropanenitrile
CID 682096
(Z)-3-(4-methoxyphenyl)-3-phenylselanylprop-2-enoic acid
CID 12615337
2-[(4-methoxybenzoyl)-methylamino]-2-phenylacetic acid
CID 14644560
(2R,3S)-2-bromo-3-hydroxy-1-(4-methoxyphenyl)-3-phenylpropan-1-one
CID 102368188

Frequently Asked Questions

What is the IUPAC name of 2-benzhydrylimino-1-(4-methoxyphenyl)ethanone?
The IUPAC name of 2-benzhydrylimino-1-(4-methoxyphenyl)ethanone (CID 139818833) is 2-benzhydrylimino-1-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-benzhydrylimino-1-(4-methoxyphenyl)ethanone?
The canonical SMILES for 2-benzhydrylimino-1-(4-methoxyphenyl)ethanone is COc1ccc(C(=O)/C=N/C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-benzhydrylimino-1-(4-methoxyphenyl)ethanone?
The InChIKey is SLHQNGZEGZNQIT-XQNSMLJCSA-N. The full InChI is InChI=1S/C22H19NO2/c1-25-20-14-12-17(13-15-20)21(24)16-23-22(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-16,22H,1H3/b23-16+.
What are the key properties of 2-benzhydrylimino-1-(4-methoxyphenyl)ethanone?
2-benzhydrylimino-1-(4-methoxyphenyl)ethanone has a molecular weight of 329.40 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydrylimino-1-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 139818833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).