7-(dimethylamino)-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one

C18H19N3O — CID 23275841

IUPAC7-(dimethylamino)-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one
SMILESCN(C)c1ccc2c(c1)C(c1ccccc1)=NCC(=O)N2C
InChIInChI=1S/C18H19N3O/c1-20(2)14-9-10-16-15(11-14)18(13-7-5-4-6-8-13)19-12-17(22)21(16)3/h4-11H,12H2,1-3H3
InChIKeySBBQWYKHNXGNDN-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.57
Rot. Bonds2

About 7-(dimethylamino)-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one

7-(dimethylamino)-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one (PubChem CID 23275841) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 7-(dimethylamino)-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name7-(dimethylamino)-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one
PubChem CID23275841
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name7-(dimethylamino)-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one
SMILESCN(C)c1ccc2c(c1)C(c1ccccc1)=NCC(=O)N2C
InChIInChI=1S/C18H19N3O/c1-20(2)14-9-10-16-15(11-14)18(13-7-5-4-6-8-13)19-12-17(22)21(16)3/h4-11H,12H2,1-3H3
InChIKeySBBQWYKHNXGNDN-UHFFFAOYSA-N
XLogP2.57
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(dimethylamino)-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one?
The IUPAC name of 7-(dimethylamino)-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one (CID 23275841) is 7-(dimethylamino)-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one.
What is the SMILES notation for 7-(dimethylamino)-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one?
The canonical SMILES for 7-(dimethylamino)-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one is CN(C)c1ccc2c(c1)C(c1ccccc1)=NCC(=O)N2C.
What is the InChIKey of 7-(dimethylamino)-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one?
The InChIKey is SBBQWYKHNXGNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-20(2)14-9-10-16-15(11-14)18(13-7-5-4-6-8-13)19-12-17(22)21(16)3/h4-11H,12H2,1-3H3.
What are the key properties of 7-(dimethylamino)-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one?
7-(dimethylamino)-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one has a molecular weight of 293.37 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(dimethylamino)-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one is sourced from PubChem (CID 23275841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).