7-chloro-5-phenyl-1-(1-phenylethyl)-3H-1,4-benzodiazepin-2-one

C23H19ClN2O — CID 5252241

IUPAC7-chloro-5-phenyl-1-(1-phenylethyl)-3H-1,4-benzodiazepin-2-one
SMILESCC(c1ccccc1)N1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21
InChIInChI=1S/C23H19ClN2O/c1-16(17-8-4-2-5-9-17)26-21-13-12-19(24)14-20(21)23(25-15-22(26)27)18-10-6-3-7-11-18/h2-14,16H,15H2,1H3
InChIKeyBGODRSTVCBQDJR-UHFFFAOYSA-N
MW374.87 g/mol
LogP5.29
Rot. Bonds3

About 7-chloro-5-phenyl-1-(1-phenylethyl)-3H-1,4-benzodiazepin-2-one

7-chloro-5-phenyl-1-(1-phenylethyl)-3H-1,4-benzodiazepin-2-one (PubChem CID 5252241) has the molecular formula C23H19ClN2O and a molecular weight of 374.87 g/mol. Its IUPAC name is 7-chloro-5-phenyl-1-(1-phenylethyl)-3H-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name7-chloro-5-phenyl-1-(1-phenylethyl)-3H-1,4-benzodiazepin-2-one
PubChem CID5252241
Molecular FormulaC23H19ClN2O
Molecular Weight374.87 g/mol
Exact Mass374.12
IUPAC Name7-chloro-5-phenyl-1-(1-phenylethyl)-3H-1,4-benzodiazepin-2-one
SMILESCC(c1ccccc1)N1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21
InChIInChI=1S/C23H19ClN2O/c1-16(17-8-4-2-5-9-17)26-21-13-12-19(24)14-20(21)23(25-15-22(26)27)18-10-6-3-7-11-18/h2-14,16H,15H2,1H3
InChIKeyBGODRSTVCBQDJR-UHFFFAOYSA-N
XLogP5.29
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.87
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one;2,2,2-trichloroethane-1,1-diol
CID 3084599
7-chloro-1-ethyl-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 623112
1-acetyl-7-chloro-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 12570847
7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one;fluorobenzene
CID 174861509
7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one;N,N-dimethylacetamide
CID 70378031
2-(7-chloro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)-N-(3-chlorophenyl)butanamide
CID 20854347
2-(4-chlorophenyl)-1-[(1S)-1-phenylethyl]-4H-imidazol-5-one
CID 153197655
7-chloro-5-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-1-prop-2-ynyl-3H-1,4-benzodiazepin-2-one
CID 76974323
7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one;1-methylpyrrolidin-2-one
CID 19991646
2-(7-chloro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)ethyl-trimethylazanium chloride
CID 175667528
7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one;8-chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
CID 67401336
7-chloro-1-(2-ethoxyethyl)-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 23018

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-phenyl-1-(1-phenylethyl)-3H-1,4-benzodiazepin-2-one?
The IUPAC name of 7-chloro-5-phenyl-1-(1-phenylethyl)-3H-1,4-benzodiazepin-2-one (CID 5252241) is 7-chloro-5-phenyl-1-(1-phenylethyl)-3H-1,4-benzodiazepin-2-one.
What is the SMILES notation for 7-chloro-5-phenyl-1-(1-phenylethyl)-3H-1,4-benzodiazepin-2-one?
The canonical SMILES for 7-chloro-5-phenyl-1-(1-phenylethyl)-3H-1,4-benzodiazepin-2-one is CC(c1ccccc1)N1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21.
What is the InChIKey of 7-chloro-5-phenyl-1-(1-phenylethyl)-3H-1,4-benzodiazepin-2-one?
The InChIKey is BGODRSTVCBQDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O/c1-16(17-8-4-2-5-9-17)26-21-13-12-19(24)14-20(21)23(25-15-22(26)27)18-10-6-3-7-11-18/h2-14,16H,15H2,1H3.
What are the key properties of 7-chloro-5-phenyl-1-(1-phenylethyl)-3H-1,4-benzodiazepin-2-one?
7-chloro-5-phenyl-1-(1-phenylethyl)-3H-1,4-benzodiazepin-2-one has a molecular weight of 374.87 g/mol, XLogP of 5.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-phenyl-1-(1-phenylethyl)-3H-1,4-benzodiazepin-2-one is sourced from PubChem (CID 5252241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).