1-[(4-methylphenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one

C23H20N2O — CID 3782732

IUPAC1-[(4-methylphenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one
SMILESCc1ccc(CN2C(=O)CN=C(c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C23H20N2O/c1-17-11-13-18(14-12-17)16-25-21-10-6-5-9-20(21)23(24-15-22(25)26)19-7-3-2-4-8-19/h2-14H,15-16H2,1H3
InChIKeyAKHJDZVBFHMWQC-UHFFFAOYSA-N
MW340.43 g/mol
LogP4.38
Rot. Bonds3

About 1-[(4-methylphenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one

1-[(4-methylphenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one (PubChem CID 3782732) has the molecular formula C23H20N2O and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one
PubChem CID3782732
Molecular FormulaC23H20N2O
Molecular Weight340.43 g/mol
Exact Mass340.16
IUPAC Name1-[(4-methylphenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one
SMILESCc1ccc(CN2C(=O)CN=C(c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C23H20N2O/c1-17-11-13-18(14-12-17)16-25-21-10-6-5-9-20(21)23(24-15-22(25)26)19-7-3-2-4-8-19/h2-14H,15-16H2,1H3
InChIKeyAKHJDZVBFHMWQC-UHFFFAOYSA-N
XLogP4.38
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Diazepam
CID 3016
Proquazone
CID 31508
Nimetazepam
CID 4496
L 365260
CID 5311201
7-Aminoflunitrazepam
CID 92294
RO-05-2921
CID 76175
2,3-Dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepine-7-carbonitrile
CID 19011
1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 613843
2,3-Dihydro-7-methyl-5-phenyl-1H-1,4-benzodiazepin-2-one
CID 613848
1,7-dimethyl-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 1108855
5-Phenyl-1-(piperidin-4-yl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one
CID 13336285
5-(2-Fluorophenyl)-1-(1-methylpiperidin-4-yl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one
CID 13450650

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one?
The IUPAC name of 1-[(4-methylphenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one (CID 3782732) is 1-[(4-methylphenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one?
The canonical SMILES for 1-[(4-methylphenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one is Cc1ccc(CN2C(=O)CN=C(c3ccccc3)c3ccccc32)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one?
The InChIKey is AKHJDZVBFHMWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O/c1-17-11-13-18(14-12-17)16-25-21-10-6-5-9-20(21)23(24-15-22(25)26)19-7-3-2-4-8-19/h2-14H,15-16H2,1H3.
What are the key properties of 1-[(4-methylphenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one?
1-[(4-methylphenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one has a molecular weight of 340.43 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one is sourced from PubChem (CID 3782732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).