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

1-[(3-chlorophenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 15993697
2-[4-methoxy-3-[1-[(4-methylphenyl)methyl]-2-oxo-3H-1,4-benzodiazepin-5-yl]phenyl]acetic acid
CID 70689411
1-benzyl-6,7-dimethyl-5-(4-methylphenyl)-3H-thieno[2,3-e][1,4]diazepin-2-one
CID 1173711
1-tert-butyl-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 21480468
7-chloro-1-ethyl-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 623112
1-acetyl-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 12570850
N-(2,3-dimethylphenyl)-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide
CID 4231093
1-[2-(4-methoxyphenyl)-2-oxoethyl]-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 19432598
1-[(4-methylphenyl)methyl]-3H-indol-2-one
CID 82083873
7-chloro-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 4053468
2-(7-chloro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)ethyl-trimethylazanium chloride
CID 175667528
3-amino-1-[(4-methoxyphenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one;ethane
CID 143109459

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).