1,3,6,8-tetramethyl-4,5-dihydro-3H-1,5-benzodiazepin-2-one

C13H18N2O — CID 84623066

IUPAC1,3,6,8-tetramethyl-4,5-dihydro-3H-1,5-benzodiazepin-2-one
SMILESCc1cc(C)c2c(c1)N(C)C(=O)C(C)CN2
InChIInChI=1S/C13H18N2O/c1-8-5-9(2)12-11(6-8)15(4)13(16)10(3)7-14-12/h5-6,10,14H,7H2,1-4H3
InChIKeyOKILEJPLUJLFDM-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.33
Rot. Bonds

About 1,3,6,8-tetramethyl-4,5-dihydro-3H-1,5-benzodiazepin-2-one

1,3,6,8-tetramethyl-4,5-dihydro-3H-1,5-benzodiazepin-2-one (PubChem CID 84623066) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1,3,6,8-tetramethyl-4,5-dihydro-3H-1,5-benzodiazepin-2-one.

Molecular Properties

Compound Name1,3,6,8-tetramethyl-4,5-dihydro-3H-1,5-benzodiazepin-2-one
PubChem CID84623066
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1,3,6,8-tetramethyl-4,5-dihydro-3H-1,5-benzodiazepin-2-one
SMILESCc1cc(C)c2c(c1)N(C)C(=O)C(C)CN2
InChIInChI=1S/C13H18N2O/c1-8-5-9(2)12-11(6-8)15(4)13(16)10(3)7-14-12/h5-6,10,14H,7H2,1-4H3
InChIKeyOKILEJPLUJLFDM-UHFFFAOYSA-N
XLogP2.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3,6,7-tetramethyl-4,5-dihydro-3H-1,5-benzodiazepin-2-one
CID 84623085
7-chloro-1,3,6-trimethyl-4,5-dihydro-3H-1,5-benzodiazepin-2-one
CID 84629273
3,6,8-trimethyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one
CID 84620344
5-bromo-1,7-dimethyl-3,4-dihydroquinoxalin-2-one
CID 84635544
6,7,9-trimethyl-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one
CID 84632015
7-chloro-3,5,6-trimethyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one
CID 84629272
2,5,7,9-tetramethyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 82230891
2,4-dimethyl-2,6-diazabicyclo[5.5.0]dodeca-1(7),8,11-trien-3-one;ethane
CID 142089836
8-chloro-3,6-dimethyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
CID 84624728
1-(2-aminoethyl)-6,8-dimethyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one
CID 84627555
8-bromo-1,3,3,6-tetramethyl-4,5-dihydro-1,5-benzodiazepin-2-one
CID 84644419
8-bromo-3,5,7-trimethyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 82233778

Frequently Asked Questions

What is the IUPAC name of 1,3,6,8-tetramethyl-4,5-dihydro-3H-1,5-benzodiazepin-2-one?
The IUPAC name of 1,3,6,8-tetramethyl-4,5-dihydro-3H-1,5-benzodiazepin-2-one (CID 84623066) is 1,3,6,8-tetramethyl-4,5-dihydro-3H-1,5-benzodiazepin-2-one.
What is the SMILES notation for 1,3,6,8-tetramethyl-4,5-dihydro-3H-1,5-benzodiazepin-2-one?
The canonical SMILES for 1,3,6,8-tetramethyl-4,5-dihydro-3H-1,5-benzodiazepin-2-one is Cc1cc(C)c2c(c1)N(C)C(=O)C(C)CN2.
What is the InChIKey of 1,3,6,8-tetramethyl-4,5-dihydro-3H-1,5-benzodiazepin-2-one?
The InChIKey is OKILEJPLUJLFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-8-5-9(2)12-11(6-8)15(4)13(16)10(3)7-14-12/h5-6,10,14H,7H2,1-4H3.
What are the key properties of 1,3,6,8-tetramethyl-4,5-dihydro-3H-1,5-benzodiazepin-2-one?
1,3,6,8-tetramethyl-4,5-dihydro-3H-1,5-benzodiazepin-2-one has a molecular weight of 218.30 g/mol, XLogP of 2.33, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6,8-tetramethyl-4,5-dihydro-3H-1,5-benzodiazepin-2-one is sourced from PubChem (CID 84623066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).