3-methyl-1-(2-phenylethyl)-4,5-dihydro-3H-1,4-benzodiazepin-2-one

C18H20N2O — CID 65364025

IUPAC3-methyl-1-(2-phenylethyl)-4,5-dihydro-3H-1,4-benzodiazepin-2-one
SMILESCC1NCc2ccccc2N(CCc2ccccc2)C1=O
InChIInChI=1S/C18H20N2O/c1-14-18(21)20(12-11-15-7-3-2-4-8-15)17-10-6-5-9-16(17)13-19-14/h2-10,14,19H,11-13H2,1H3
InChIKeyDHWOSYUNZANHRA-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.75
Rot. Bonds3

About 3-methyl-1-(2-phenylethyl)-4,5-dihydro-3H-1,4-benzodiazepin-2-one

3-methyl-1-(2-phenylethyl)-4,5-dihydro-3H-1,4-benzodiazepin-2-one (PubChem CID 65364025) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-methyl-1-(2-phenylethyl)-4,5-dihydro-3H-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name3-methyl-1-(2-phenylethyl)-4,5-dihydro-3H-1,4-benzodiazepin-2-one
PubChem CID65364025
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name3-methyl-1-(2-phenylethyl)-4,5-dihydro-3H-1,4-benzodiazepin-2-one
SMILESCC1NCc2ccccc2N(CCc2ccccc2)C1=O
InChIInChI=1S/C18H20N2O/c1-14-18(21)20(12-11-15-7-3-2-4-8-15)17-10-6-5-9-16(17)13-19-14/h2-10,14,19H,11-13H2,1H3
InChIKeyDHWOSYUNZANHRA-UHFFFAOYSA-N
XLogP2.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-phenylethyl)-4,5-dihydro-3H-1,4-benzodiazepin-2-one?
The IUPAC name of 3-methyl-1-(2-phenylethyl)-4,5-dihydro-3H-1,4-benzodiazepin-2-one (CID 65364025) is 3-methyl-1-(2-phenylethyl)-4,5-dihydro-3H-1,4-benzodiazepin-2-one.
What is the SMILES notation for 3-methyl-1-(2-phenylethyl)-4,5-dihydro-3H-1,4-benzodiazepin-2-one?
The canonical SMILES for 3-methyl-1-(2-phenylethyl)-4,5-dihydro-3H-1,4-benzodiazepin-2-one is CC1NCc2ccccc2N(CCc2ccccc2)C1=O.
What is the InChIKey of 3-methyl-1-(2-phenylethyl)-4,5-dihydro-3H-1,4-benzodiazepin-2-one?
The InChIKey is DHWOSYUNZANHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-14-18(21)20(12-11-15-7-3-2-4-8-15)17-10-6-5-9-16(17)13-19-14/h2-10,14,19H,11-13H2,1H3.
What are the key properties of 3-methyl-1-(2-phenylethyl)-4,5-dihydro-3H-1,4-benzodiazepin-2-one?
3-methyl-1-(2-phenylethyl)-4,5-dihydro-3H-1,4-benzodiazepin-2-one has a molecular weight of 280.37 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-phenylethyl)-4,5-dihydro-3H-1,4-benzodiazepin-2-one is sourced from PubChem (CID 65364025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).