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

C23H20N2O — CID 53007639

IUPAC1-[(2-methylphenyl)methyl]-4-phenyl-3H-1,5-benzodiazepin-2-one
SMILESCc1ccccc1CN1C(=O)CC(c2ccccc2)=Nc2ccccc21
InChIInChI=1S/C23H20N2O/c1-17-9-5-6-12-19(17)16-25-22-14-8-7-13-20(22)24-21(15-23(25)26)18-10-3-2-4-11-18/h2-14H,15-16H2,1H3
InChIKeyIPILWWTURBJZQL-UHFFFAOYSA-N
MW340.43 g/mol
LogP5.05
Rot. Bonds3

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

1-[(2-methylphenyl)methyl]-4-phenyl-3H-1,5-benzodiazepin-2-one (PubChem CID 53007639) has the molecular formula C23H20N2O and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-[(2-methylphenyl)methyl]-4-phenyl-3H-1,5-benzodiazepin-2-one.

Molecular Properties

Compound Name1-[(2-methylphenyl)methyl]-4-phenyl-3H-1,5-benzodiazepin-2-one
PubChem CID53007639
Molecular FormulaC23H20N2O
Molecular Weight340.43 g/mol
Exact Mass340.16
IUPAC Name1-[(2-methylphenyl)methyl]-4-phenyl-3H-1,5-benzodiazepin-2-one
SMILESCc1ccccc1CN1C(=O)CC(c2ccccc2)=Nc2ccccc21
InChIInChI=1S/C23H20N2O/c1-17-9-5-6-12-19(17)16-25-22-14-8-7-13-20(22)24-21(15-23(25)26)18-10-3-2-4-11-18/h2-14H,15-16H2,1H3
InChIKeyIPILWWTURBJZQL-UHFFFAOYSA-N
XLogP5.05
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.43
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylphenyl)methyl]-4-phenyl-3H-1,5-benzodiazepin-2-one?
The IUPAC name of 1-[(2-methylphenyl)methyl]-4-phenyl-3H-1,5-benzodiazepin-2-one (CID 53007639) is 1-[(2-methylphenyl)methyl]-4-phenyl-3H-1,5-benzodiazepin-2-one.
What is the SMILES notation for 1-[(2-methylphenyl)methyl]-4-phenyl-3H-1,5-benzodiazepin-2-one?
The canonical SMILES for 1-[(2-methylphenyl)methyl]-4-phenyl-3H-1,5-benzodiazepin-2-one is Cc1ccccc1CN1C(=O)CC(c2ccccc2)=Nc2ccccc21.
What is the InChIKey of 1-[(2-methylphenyl)methyl]-4-phenyl-3H-1,5-benzodiazepin-2-one?
The InChIKey is IPILWWTURBJZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O/c1-17-9-5-6-12-19(17)16-25-22-14-8-7-13-20(22)24-21(15-23(25)26)18-10-3-2-4-11-18/h2-14H,15-16H2,1H3.
What are the key properties of 1-[(2-methylphenyl)methyl]-4-phenyl-3H-1,5-benzodiazepin-2-one?
1-[(2-methylphenyl)methyl]-4-phenyl-3H-1,5-benzodiazepin-2-one has a molecular weight of 340.43 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylphenyl)methyl]-4-phenyl-3H-1,5-benzodiazepin-2-one is sourced from PubChem (CID 53007639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).