[(4S,5S)-2-ethylimino-4,5-diphenylimidazolidin-1-yl]-phenylmethanone

C24H23N3O — CID 135461865

IUPAC[(4S,5S)-2-ethylimino-4,5-diphenylimidazolidin-1-yl]-phenylmethanone
SMILESCC/N=C1\N[C@@H](c2ccccc2)[C@H](c2ccccc2)N1C(=O)c1ccccc1
InChIInChI=1S/C24H23N3O/c1-2-25-24-26-21(18-12-6-3-7-13-18)22(19-14-8-4-9-15-19)27(24)23(28)20-16-10-5-11-17-20/h3-17,21-22H,2H2,1H3,(H,25,26)/t21-,22-/m0/s1
InChIKeyVNUUNTMHRPMESD-VXKWHMMOSA-N
MW369.47 g/mol
LogP4.59
Rot. Bonds4

About [(4S,5S)-2-ethylimino-4,5-diphenylimidazolidin-1-yl]-phenylmethanone

[(4S,5S)-2-ethylimino-4,5-diphenylimidazolidin-1-yl]-phenylmethanone (PubChem CID 135461865) has the molecular formula C24H23N3O and a molecular weight of 369.47 g/mol. Its IUPAC name is [(4S,5S)-2-ethylimino-4,5-diphenylimidazolidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[(4S,5S)-2-ethylimino-4,5-diphenylimidazolidin-1-yl]-phenylmethanone
PubChem CID135461865
Molecular FormulaC24H23N3O
Molecular Weight369.47 g/mol
Exact Mass369.18
IUPAC Name[(4S,5S)-2-ethylimino-4,5-diphenylimidazolidin-1-yl]-phenylmethanone
SMILESCC/N=C1\N[C@@H](c2ccccc2)[C@H](c2ccccc2)N1C(=O)c1ccccc1
InChIInChI=1S/C24H23N3O/c1-2-25-24-26-21(18-12-6-3-7-13-18)22(19-14-8-4-9-15-19)27(24)23(28)20-16-10-5-11-17-20/h3-17,21-22H,2H2,1H3,(H,25,26)/t21-,22-/m0/s1
InChIKeyVNUUNTMHRPMESD-VXKWHMMOSA-N
XLogP4.59
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(2S,3R)-2-methyl-3-phenylaziridin-1-yl]-phenylmethanone
CID 12739484
1-benzoyl-4-phenyl-3-triethylsilyloxyazetidin-2-one
CID 15215130
(2R)-1-[(4R,5S)-4,5-diphenyl-2-sulfanylideneimidazolidin-1-yl]-2-phenylpropan-1-one
CID 102171962
(4S,5S)-1-methyl-4,5-diphenylimidazolidin-2-one
CID 11831915
(4R,5R)-1-methyl-4,5-diphenyl-3-propanoylimidazolidin-2-one
CID 14905101
(3-methyl-2,6-diphenylpiperidin-1-yl)-phenylmethanone
CID 133083666
(3-hydroxy-2,2-dimethylaziridin-1-yl)-phenylmethanone
CID 151500520
(1R,5R)-2,6-dibenzoyl-1,5-diphenyl-1,5-dihydro-[1,2,4]triazolo[1,2-a][1,2,4]triazole-3,7-dione
CID 124789510
2,6-dibenzoyl-1,5-diphenyl-1,5-dihydro-[1,2,4]triazolo[1,2-a][1,2,4]triazole-3,7-dione
CID 165341170
(2-ethyl-3-methylidene-2H-indol-1-yl)-phenylmethanone
CID 11587010
[(4R,5R)-4,5-diphenyl-2-sulfanylideneimidazolidin-1-yl] acetate
CID 100936892
1-benzoyl-3-methylidene-5-phenylpyrrolidin-2-one
CID 101438685

Frequently Asked Questions

What is the IUPAC name of [(4S,5S)-2-ethylimino-4,5-diphenylimidazolidin-1-yl]-phenylmethanone?
The IUPAC name of [(4S,5S)-2-ethylimino-4,5-diphenylimidazolidin-1-yl]-phenylmethanone (CID 135461865) is [(4S,5S)-2-ethylimino-4,5-diphenylimidazolidin-1-yl]-phenylmethanone.
What is the SMILES notation for [(4S,5S)-2-ethylimino-4,5-diphenylimidazolidin-1-yl]-phenylmethanone?
The canonical SMILES for [(4S,5S)-2-ethylimino-4,5-diphenylimidazolidin-1-yl]-phenylmethanone is CC/N=C1\N[C@@H](c2ccccc2)[C@H](c2ccccc2)N1C(=O)c1ccccc1.
What is the InChIKey of [(4S,5S)-2-ethylimino-4,5-diphenylimidazolidin-1-yl]-phenylmethanone?
The InChIKey is VNUUNTMHRPMESD-VXKWHMMOSA-N. The full InChI is InChI=1S/C24H23N3O/c1-2-25-24-26-21(18-12-6-3-7-13-18)22(19-14-8-4-9-15-19)27(24)23(28)20-16-10-5-11-17-20/h3-17,21-22H,2H2,1H3,(H,25,26)/t21-,22-/m0/s1.
What are the key properties of [(4S,5S)-2-ethylimino-4,5-diphenylimidazolidin-1-yl]-phenylmethanone?
[(4S,5S)-2-ethylimino-4,5-diphenylimidazolidin-1-yl]-phenylmethanone has a molecular weight of 369.47 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,5S)-2-ethylimino-4,5-diphenylimidazolidin-1-yl]-phenylmethanone is sourced from PubChem (CID 135461865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).