5-phenyl-3-propyl-1,4-benzodiazepin-2-one

C18H16N2O — CID 91051065

IUPAC5-phenyl-3-propyl-1,4-benzodiazepin-2-one
SMILESCCCc1nc(-c2ccccc2)c2ccccc2nc1=O
InChIInChI=1S/C18H16N2O/c1-2-8-16-18(21)20-15-12-7-6-11-14(15)17(19-16)13-9-4-3-5-10-13/h3-7,9-12H,2,8H2,1H3
InChIKeyCYMCULCLYNUBAS-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.61
Rot. Bonds3

About 5-phenyl-3-propyl-1,4-benzodiazepin-2-one

5-phenyl-3-propyl-1,4-benzodiazepin-2-one (PubChem CID 91051065) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 5-phenyl-3-propyl-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name5-phenyl-3-propyl-1,4-benzodiazepin-2-one
PubChem CID91051065
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name5-phenyl-3-propyl-1,4-benzodiazepin-2-one
SMILESCCCc1nc(-c2ccccc2)c2ccccc2nc1=O
InChIInChI=1S/C18H16N2O/c1-2-8-16-18(21)20-15-12-7-6-11-14(15)17(19-16)13-9-4-3-5-10-13/h3-7,9-12H,2,8H2,1H3
InChIKeyCYMCULCLYNUBAS-UHFFFAOYSA-N
XLogP3.61
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(methoxymethyl)-5-phenyl-1,4-benzodiazepin-2-one
CID 154166770
4-methyl-2-phenyl-3-propylquinoline
CID 39902639
3,4-diethyl-2-phenyl-5,6-dipropylpyridine
CID 15439664
2-ethyl-4-(4-phenylphenyl)quinazoline
CID 134403599
2-methyl-4-propylquinazoline
CID 22419316
4-phenyl-2-propylquinoline
CID 145370518
2-ethoxy-4-phenylquinazoline
CID 134912772
4-phenyl-5-propyl-2H-triazole
CID 66772707
4-pentyl-2-phenylquinazoline
CID 122226497
ethyl 4-(2-propylquinazolin-4-yl)benzoate
CID 142506086
3-phenyl-4-propyl-1,2,5-thiadiazole
CID 12689835
2-propyl-3,1-benzoxazin-4-one
CID 823661

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-propyl-1,4-benzodiazepin-2-one?
The IUPAC name of 5-phenyl-3-propyl-1,4-benzodiazepin-2-one (CID 91051065) is 5-phenyl-3-propyl-1,4-benzodiazepin-2-one.
What is the SMILES notation for 5-phenyl-3-propyl-1,4-benzodiazepin-2-one?
The canonical SMILES for 5-phenyl-3-propyl-1,4-benzodiazepin-2-one is CCCc1nc(-c2ccccc2)c2ccccc2nc1=O.
What is the InChIKey of 5-phenyl-3-propyl-1,4-benzodiazepin-2-one?
The InChIKey is CYMCULCLYNUBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-2-8-16-18(21)20-15-12-7-6-11-14(15)17(19-16)13-9-4-3-5-10-13/h3-7,9-12H,2,8H2,1H3.
What are the key properties of 5-phenyl-3-propyl-1,4-benzodiazepin-2-one?
5-phenyl-3-propyl-1,4-benzodiazepin-2-one has a molecular weight of 276.34 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-propyl-1,4-benzodiazepin-2-one is sourced from PubChem (CID 91051065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).