7-chloro-1,3,6-trimethyl-4,5-dihydro-3H-1,5-benzodiazepin-2-one

C12H15ClN2O — CID 84629273

IUPAC7-chloro-1,3,6-trimethyl-4,5-dihydro-3H-1,5-benzodiazepin-2-one
SMILESCc1c(Cl)ccc2c1NCC(C)C(=O)N2C
InChIInChI=1S/C12H15ClN2O/c1-7-6-14-11-8(2)9(13)4-5-10(11)15(3)12(7)16/h4-5,7,14H,6H2,1-3H3
InChIKeyGMAFTRGVQLKMRC-UHFFFAOYSA-N
MW238.72 g/mol
LogP2.67
Rot. Bonds

About 7-chloro-1,3,6-trimethyl-4,5-dihydro-3H-1,5-benzodiazepin-2-one

7-chloro-1,3,6-trimethyl-4,5-dihydro-3H-1,5-benzodiazepin-2-one (PubChem CID 84629273) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 7-chloro-1,3,6-trimethyl-4,5-dihydro-3H-1,5-benzodiazepin-2-one.

Molecular Properties

Compound Name7-chloro-1,3,6-trimethyl-4,5-dihydro-3H-1,5-benzodiazepin-2-one
PubChem CID84629273
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name7-chloro-1,3,6-trimethyl-4,5-dihydro-3H-1,5-benzodiazepin-2-one
SMILESCc1c(Cl)ccc2c1NCC(C)C(=O)N2C
InChIInChI=1S/C12H15ClN2O/c1-7-6-14-11-8(2)9(13)4-5-10(11)15(3)12(7)16/h4-5,7,14H,6H2,1-3H3
InChIKeyGMAFTRGVQLKMRC-UHFFFAOYSA-N
XLogP2.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-chloro-1,3,6-trimethyl-4,5-dihydro-3H-1,5-benzodiazepin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3,6,7-tetramethyl-4,5-dihydro-3H-1,5-benzodiazepin-2-one
CID 84623085
7-chloro-3,5,6-trimethyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one
CID 84629272
1,3,6,8-tetramethyl-4,5-dihydro-3H-1,5-benzodiazepin-2-one
CID 84623066
(6-chloro-7-methyl-2,3-dihydro-1H-indol-3-yl)methanol
CID 83915926
6-chloro-7-methyl-3-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 82626783
(3R)-5-[2-(4-chloro-3-methylphenoxy)ethyl]-3-methyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one
CID 96571523
2-(7-chloro-6-methyl-4-oxo-3,5-dihydro-2H-1,5-benzodiazepin-1-yl)acetic acid
CID 84641017
2,4-dimethyl-2,6-diazabicyclo[5.5.0]dodeca-1(7),8,11-trien-3-one;ethane
CID 142089836
7-chloro-3,5,6-trimethyl-1,2,3,4-tetrahydro-1,5-benzodiazepine
CID 84624783
2-(6-chloro-7-methyl-2,3-dihydro-1H-indol-3-yl)propan-1-amine
CID 83868516
6-chloro-1,3-dimethyl-3,4-dihydroquinoxalin-2-one
CID 83509943
7-chloro-6-methylspiro[4,5-dihydro-1H-1,5-benzodiazepine-3,1'-cyclobutane]-2-one
CID 112741175

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1,3,6-trimethyl-4,5-dihydro-3H-1,5-benzodiazepin-2-one?
The IUPAC name of 7-chloro-1,3,6-trimethyl-4,5-dihydro-3H-1,5-benzodiazepin-2-one (CID 84629273) is 7-chloro-1,3,6-trimethyl-4,5-dihydro-3H-1,5-benzodiazepin-2-one.
What is the SMILES notation for 7-chloro-1,3,6-trimethyl-4,5-dihydro-3H-1,5-benzodiazepin-2-one?
The canonical SMILES for 7-chloro-1,3,6-trimethyl-4,5-dihydro-3H-1,5-benzodiazepin-2-one is Cc1c(Cl)ccc2c1NCC(C)C(=O)N2C.
What is the InChIKey of 7-chloro-1,3,6-trimethyl-4,5-dihydro-3H-1,5-benzodiazepin-2-one?
The InChIKey is GMAFTRGVQLKMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-7-6-14-11-8(2)9(13)4-5-10(11)15(3)12(7)16/h4-5,7,14H,6H2,1-3H3.
What are the key properties of 7-chloro-1,3,6-trimethyl-4,5-dihydro-3H-1,5-benzodiazepin-2-one?
7-chloro-1,3,6-trimethyl-4,5-dihydro-3H-1,5-benzodiazepin-2-one has a molecular weight of 238.72 g/mol, XLogP of 2.67, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1,3,6-trimethyl-4,5-dihydro-3H-1,5-benzodiazepin-2-one is sourced from PubChem (CID 84629273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).