3-hydroxy-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one

C16H14N2O2 — CID 617083

IUPAC3-hydroxy-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one
SMILESCN1C(=O)C(O)N=C(c2ccccc2)c2ccccc21
InChIInChI=1S/C16H14N2O2/c1-18-13-10-6-5-9-12(13)14(17-15(19)16(18)20)11-7-3-2-4-8-11/h2-10,15,19H,1H3
InChIKeyKNHIEESWXQZBEJ-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.82
Rot. Bonds1

About 3-hydroxy-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one

3-hydroxy-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one (PubChem CID 617083) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-hydroxy-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name3-hydroxy-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one
PubChem CID617083
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name3-hydroxy-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one
SMILESCN1C(=O)C(O)N=C(c2ccccc2)c2ccccc21
InChIInChI=1S/C16H14N2O2/c1-18-13-10-6-5-9-12(13)14(17-15(19)16(18)20)11-7-3-2-4-8-11/h2-10,15,19H,1H3
InChIKeyKNHIEESWXQZBEJ-UHFFFAOYSA-N
XLogP1.82
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Lormetazepam
CID 13314
Temazepam
CID 5391
Cinolazepam
CID 3033621
Doxefazepam
CID 38668
2,3-Dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepine-7-carbonitrile
CID 19011
Ro 07-2750
CID 30401
1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 613843
1,7-dimethyl-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 1108855
7-Chloro-1,3-dihydro-1-methyl-3-hydroxy-5-(2-fluorophenyl)-2H-1,4-benzodiazepin-2-one
CID 40344
5-(2-Fluorophenyl)-1-(1-methylpiperidin-4-yl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one
CID 13450650
7-Aminonimetazepam
CID 23275339
Ro 5-3438
CID 193319

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one?
The IUPAC name of 3-hydroxy-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one (CID 617083) is 3-hydroxy-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one.
What is the SMILES notation for 3-hydroxy-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one?
The canonical SMILES for 3-hydroxy-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one is CN1C(=O)C(O)N=C(c2ccccc2)c2ccccc21.
What is the InChIKey of 3-hydroxy-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one?
The InChIKey is KNHIEESWXQZBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-18-13-10-6-5-9-12(13)14(17-15(19)16(18)20)11-7-3-2-4-8-11/h2-10,15,19H,1H3.
What are the key properties of 3-hydroxy-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one?
3-hydroxy-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one has a molecular weight of 266.30 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one is sourced from PubChem (CID 617083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).