7-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one

C16H14N2O — CID 613848

IUPAC7-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESCc1ccc2c(c1)C(c1ccccc1)=NCC(=O)N2
InChIInChI=1S/C16H14N2O/c1-11-7-8-14-13(9-11)16(17-10-15(19)18-14)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,18,19)
InChIKeyZZLQGKUTUGIQNL-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.78
Rot. Bonds1

About 7-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one

7-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one (PubChem CID 613848) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 7-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name7-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
PubChem CID613848
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name7-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESCc1ccc2c(c1)C(c1ccccc1)=NCC(=O)N2
InChIInChI=1S/C16H14N2O/c1-11-7-8-14-13(9-11)16(17-10-15(19)18-14)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,18,19)
InChIKeyZZLQGKUTUGIQNL-UHFFFAOYSA-N
XLogP2.78
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The IUPAC name of 7-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one (CID 613848) is 7-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one.
What is the SMILES notation for 7-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The canonical SMILES for 7-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one is Cc1ccc2c(c1)C(c1ccccc1)=NCC(=O)N2.
What is the InChIKey of 7-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The InChIKey is ZZLQGKUTUGIQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-11-7-8-14-13(9-11)16(17-10-15(19)18-14)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,18,19).
What are the key properties of 7-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
7-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one has a molecular weight of 250.30 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one is sourced from PubChem (CID 613848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).