1,4-dimethyl-6-phenyl-2,3-dihydro-1,4-benzodiazepin-5-one

C17H18N2O — CID 12038541

IUPAC1,4-dimethyl-6-phenyl-2,3-dihydro-1,4-benzodiazepin-5-one
SMILESCN1CCN(C)c2cccc(-c3ccccc3)c2C1=O
InChIInChI=1S/C17H18N2O/c1-18-11-12-19(2)17(20)16-14(9-6-10-15(16)18)13-7-4-3-5-8-13/h3-10H,11-12H2,1-2H3
InChIKeyHZAQMKLGFPPUKE-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.88
Rot. Bonds1

About 1,4-dimethyl-6-phenyl-2,3-dihydro-1,4-benzodiazepin-5-one

1,4-dimethyl-6-phenyl-2,3-dihydro-1,4-benzodiazepin-5-one (PubChem CID 12038541) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 1,4-dimethyl-6-phenyl-2,3-dihydro-1,4-benzodiazepin-5-one.

Molecular Properties

Compound Name1,4-dimethyl-6-phenyl-2,3-dihydro-1,4-benzodiazepin-5-one
PubChem CID12038541
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name1,4-dimethyl-6-phenyl-2,3-dihydro-1,4-benzodiazepin-5-one
SMILESCN1CCN(C)c2cccc(-c3ccccc3)c2C1=O
InChIInChI=1S/C17H18N2O/c1-18-11-12-19(2)17(20)16-14(9-6-10-15(16)18)13-7-4-3-5-8-13/h3-10H,11-12H2,1-2H3
InChIKeyHZAQMKLGFPPUKE-UHFFFAOYSA-N
XLogP2.88
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-6-phenyl-2,3-dihydro-1,4-benzodiazepin-5-one?
The IUPAC name of 1,4-dimethyl-6-phenyl-2,3-dihydro-1,4-benzodiazepin-5-one (CID 12038541) is 1,4-dimethyl-6-phenyl-2,3-dihydro-1,4-benzodiazepin-5-one.
What is the SMILES notation for 1,4-dimethyl-6-phenyl-2,3-dihydro-1,4-benzodiazepin-5-one?
The canonical SMILES for 1,4-dimethyl-6-phenyl-2,3-dihydro-1,4-benzodiazepin-5-one is CN1CCN(C)c2cccc(-c3ccccc3)c2C1=O.
What is the InChIKey of 1,4-dimethyl-6-phenyl-2,3-dihydro-1,4-benzodiazepin-5-one?
The InChIKey is HZAQMKLGFPPUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-18-11-12-19(2)17(20)16-14(9-6-10-15(16)18)13-7-4-3-5-8-13/h3-10H,11-12H2,1-2H3.
What are the key properties of 1,4-dimethyl-6-phenyl-2,3-dihydro-1,4-benzodiazepin-5-one?
1,4-dimethyl-6-phenyl-2,3-dihydro-1,4-benzodiazepin-5-one has a molecular weight of 266.34 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-6-phenyl-2,3-dihydro-1,4-benzodiazepin-5-one is sourced from PubChem (CID 12038541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).