1-[(2S,4R)-2-methyl-2,4-diphenyl-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]ethanone

C24H24N2O — CID 139056759

IUPAC1-[(2S,4R)-2-methyl-2,4-diphenyl-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]ethanone
SMILESCC(=O)N1c2ccccc2N[C@](C)(c2ccccc2)C[C@@H]1c1ccccc1
InChIInChI=1S/C24H24N2O/c1-18(27)26-22-16-10-9-15-21(22)25-24(2,20-13-7-4-8-14-20)17-23(26)19-11-5-3-6-12-19/h3-16,23,25H,17H2,1-2H3/t23-,24+/m1/s1
InChIKeyOCBADCQBZGXVEN-RPWUZVMVSA-N
MW356.47 g/mol
LogP5.51
Rot. Bonds2

About 1-[(2S,4R)-2-methyl-2,4-diphenyl-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]ethanone

1-[(2S,4R)-2-methyl-2,4-diphenyl-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]ethanone (PubChem CID 139056759) has the molecular formula C24H24N2O and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-[(2S,4R)-2-methyl-2,4-diphenyl-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]ethanone.

Molecular Properties

Compound Name1-[(2S,4R)-2-methyl-2,4-diphenyl-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]ethanone
PubChem CID139056759
Molecular FormulaC24H24N2O
Molecular Weight356.47 g/mol
Exact Mass356.19
IUPAC Name1-[(2S,4R)-2-methyl-2,4-diphenyl-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]ethanone
SMILESCC(=O)N1c2ccccc2N[C@](C)(c2ccccc2)C[C@@H]1c1ccccc1
InChIInChI=1S/C24H24N2O/c1-18(27)26-22-16-10-9-15-21(22)25-24(2,20-13-7-4-8-14-20)17-23(26)19-11-5-3-6-12-19/h3-16,23,25H,17H2,1-2H3/t23-,24+/m1/s1
InChIKeyOCBADCQBZGXVEN-RPWUZVMVSA-N
XLogP5.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(2S,4R)-2-methyl-2,4-diphenyl-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]ethanone with MolForge

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Related Compounds

(4S)-5-acetyl-4-(3-bromophenyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 132539338
(6S)-5-acetyl-6-phenyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
CID 713119
5-acetyl-9-methyl-6-phenyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
CID 2981664
1-(2-methyl-3,4-dihydro-2H-quinoxalin-1-yl)ethanone;hydrochloride
CID 154574825
1-(3,5-diphenylpyrazolidin-1-yl)ethanone
CID 3126002
2-(3,3-dimethyl-2-oxo-4H-quinoxalin-1-yl)acetic acid
CID 82157084
5-acetyl-4-(4-methylphenyl)-1,2,4,10-tetrahydrocyclopenta[c][1,5]benzodiazepin-3-one
CID 147206322
5-acetyl-6-(3-bromophenyl)-9,9-dimethyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
CID 2876985
(6S,9S)-5-acetyl-6-(4-methylphenyl)-9-phenyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
CID 1020840
5-acetyl-6-(3,5-difluorophenyl)-9,9-dimethyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
CID 17027544
(5S)-5-ethyl-3-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 7531488
[4-[(6R)-5-acetyl-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-6-yl]phenyl] acetate
CID 7710701

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4R)-2-methyl-2,4-diphenyl-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]ethanone?
The IUPAC name of 1-[(2S,4R)-2-methyl-2,4-diphenyl-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]ethanone (CID 139056759) is 1-[(2S,4R)-2-methyl-2,4-diphenyl-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]ethanone.
What is the SMILES notation for 1-[(2S,4R)-2-methyl-2,4-diphenyl-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]ethanone?
The canonical SMILES for 1-[(2S,4R)-2-methyl-2,4-diphenyl-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]ethanone is CC(=O)N1c2ccccc2N[C@](C)(c2ccccc2)C[C@@H]1c1ccccc1.
What is the InChIKey of 1-[(2S,4R)-2-methyl-2,4-diphenyl-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]ethanone?
The InChIKey is OCBADCQBZGXVEN-RPWUZVMVSA-N. The full InChI is InChI=1S/C24H24N2O/c1-18(27)26-22-16-10-9-15-21(22)25-24(2,20-13-7-4-8-14-20)17-23(26)19-11-5-3-6-12-19/h3-16,23,25H,17H2,1-2H3/t23-,24+/m1/s1.
What are the key properties of 1-[(2S,4R)-2-methyl-2,4-diphenyl-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]ethanone?
1-[(2S,4R)-2-methyl-2,4-diphenyl-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]ethanone has a molecular weight of 356.47 g/mol, XLogP of 5.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4R)-2-methyl-2,4-diphenyl-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]ethanone is sourced from PubChem (CID 139056759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).