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

C24H22N2O — CID 3293682

IUPAC3-methyl-1-[(2-methylphenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one
SMILESCc1ccccc1CN1C(=O)C(C)N=C(c2ccccc2)c2ccccc21
InChIInChI=1S/C24H22N2O/c1-17-10-6-7-13-20(17)16-26-22-15-9-8-14-21(22)23(25-18(2)24(26)27)19-11-4-3-5-12-19/h3-15,18H,16H2,1-2H3
InChIKeyDQIVYBJDOFWPIO-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.77
Rot. Bonds3

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

3-methyl-1-[(2-methylphenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one (PubChem CID 3293682) has the molecular formula C24H22N2O and a molecular weight of 354.45 g/mol. Its IUPAC name is 3-methyl-1-[(2-methylphenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name3-methyl-1-[(2-methylphenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one
PubChem CID3293682
Molecular FormulaC24H22N2O
Molecular Weight354.45 g/mol
Exact Mass354.17
IUPAC Name3-methyl-1-[(2-methylphenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one
SMILESCc1ccccc1CN1C(=O)C(C)N=C(c2ccccc2)c2ccccc21
InChIInChI=1S/C24H22N2O/c1-17-10-6-7-13-20(17)16-26-22-15-9-8-14-21(22)23(25-18(2)24(26)27)19-11-4-3-5-12-19/h3-15,18H,16H2,1-2H3
InChIKeyDQIVYBJDOFWPIO-UHFFFAOYSA-N
XLogP4.77
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(2-methylphenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one?
The IUPAC name of 3-methyl-1-[(2-methylphenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one (CID 3293682) is 3-methyl-1-[(2-methylphenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one.
What is the SMILES notation for 3-methyl-1-[(2-methylphenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one?
The canonical SMILES for 3-methyl-1-[(2-methylphenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one is Cc1ccccc1CN1C(=O)C(C)N=C(c2ccccc2)c2ccccc21.
What is the InChIKey of 3-methyl-1-[(2-methylphenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one?
The InChIKey is DQIVYBJDOFWPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O/c1-17-10-6-7-13-20(17)16-26-22-15-9-8-14-21(22)23(25-18(2)24(26)27)19-11-4-3-5-12-19/h3-15,18H,16H2,1-2H3.
What are the key properties of 3-methyl-1-[(2-methylphenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one?
3-methyl-1-[(2-methylphenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one has a molecular weight of 354.45 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(2-methylphenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one is sourced from PubChem (CID 3293682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).