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

Diazepam
CID 3016
Nordiazepam
CID 2997
Flurazepam
CID 3393
Lormetazepam
CID 13314
Ro 5-4864
CID 1688
Desalkylflurazepam
CID 4540
Prazepam
CID 4890
Temazepam
CID 5391
Delorazepam
CID 17925
Halazepam
CID 31640
Pinazepam
CID 40391
Medazepam
CID 4041

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).