7-methyl-5-(2-methylphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one

C17H16N2O — CID 59966583

IUPAC7-methyl-5-(2-methylphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESCc1ccc2c(c1)C(c1ccccc1C)=NCC(=O)N2
InChIInChI=1S/C17H16N2O/c1-11-7-8-15-14(9-11)17(18-10-16(20)19-15)13-6-4-3-5-12(13)2/h3-9H,10H2,1-2H3,(H,19,20)
InChIKeyNOFHZQDWGSVUJQ-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.09
Rot. Bonds1

About 7-methyl-5-(2-methylphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one

7-methyl-5-(2-methylphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one (PubChem CID 59966583) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 7-methyl-5-(2-methylphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name7-methyl-5-(2-methylphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
PubChem CID59966583
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name7-methyl-5-(2-methylphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESCc1ccc2c(c1)C(c1ccccc1C)=NCC(=O)N2
InChIInChI=1S/C17H16N2O/c1-11-7-8-15-14(9-11)17(18-10-16(20)19-15)13-6-4-3-5-12(13)2/h3-9H,10H2,1-2H3,(H,19,20)
InChIKeyNOFHZQDWGSVUJQ-UHFFFAOYSA-N
XLogP3.09
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-fluorophenyl)-7-methyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 67474800
7-fluoro-5-(4-methylphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one;5-(4-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one;7-fluoro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 161006111
7-acetyl-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
CID 23275854
8-(2-methoxyethoxy)-5-(2-methylphenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepine-7-carbonitrile
CID 143211335
7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;methylcyclopropane
CID 169181138
7-nitro-5-(2-nitrophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
CID 23276342
7-cyclopropyl-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
CID 170330084
6,7-dimethyl-5-(2-methylphenyl)-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one
CID 135417469
5-(2-chlorophenyl)-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-one
CID 87845370
7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;hydrochloride
CID 163994713
7,9-dimethyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 23275338
N,7-dimethyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-imine
CID 137079379

Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-(2-methylphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one?
The IUPAC name of 7-methyl-5-(2-methylphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one (CID 59966583) is 7-methyl-5-(2-methylphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one.
What is the SMILES notation for 7-methyl-5-(2-methylphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one?
The canonical SMILES for 7-methyl-5-(2-methylphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one is Cc1ccc2c(c1)C(c1ccccc1C)=NCC(=O)N2.
What is the InChIKey of 7-methyl-5-(2-methylphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one?
The InChIKey is NOFHZQDWGSVUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-11-7-8-15-14(9-11)17(18-10-16(20)19-15)13-6-4-3-5-12(13)2/h3-9H,10H2,1-2H3,(H,19,20).
What are the key properties of 7-methyl-5-(2-methylphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one?
7-methyl-5-(2-methylphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one has a molecular weight of 264.33 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-(2-methylphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one is sourced from PubChem (CID 59966583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).