2-benzyl-3-methylimidazo[5,1-d][1,5]benzothiazepine-1,4-dione

C19H16N2O2S — CID 11221378

IUPAC2-benzyl-3-methylimidazo[5,1-d][1,5]benzothiazepine-1,4-dione
SMILESCc1c2n(c(=O)n1Cc1ccccc1)-c1ccccc1SCC2=O
InChIInChI=1S/C19H16N2O2S/c1-13-18-16(22)12-24-17-10-6-5-9-15(17)21(18)19(23)20(13)11-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3
InChIKeyIXCYPZUWQWFFAF-UHFFFAOYSA-N
MW336.42 g/mol
LogP3.28
Rot. Bonds2

About 2-benzyl-3-methylimidazo[5,1-d][1,5]benzothiazepine-1,4-dione

2-benzyl-3-methylimidazo[5,1-d][1,5]benzothiazepine-1,4-dione (PubChem CID 11221378) has the molecular formula C19H16N2O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is 2-benzyl-3-methylimidazo[5,1-d][1,5]benzothiazepine-1,4-dione.

Molecular Properties

Compound Name2-benzyl-3-methylimidazo[5,1-d][1,5]benzothiazepine-1,4-dione
PubChem CID11221378
Molecular FormulaC19H16N2O2S
Molecular Weight336.42 g/mol
Exact Mass336.09
IUPAC Name2-benzyl-3-methylimidazo[5,1-d][1,5]benzothiazepine-1,4-dione
SMILESCc1c2n(c(=O)n1Cc1ccccc1)-c1ccccc1SCC2=O
InChIInChI=1S/C19H16N2O2S/c1-13-18-16(22)12-24-17-10-6-5-9-15(17)21(18)19(23)20(13)11-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3
InChIKeyIXCYPZUWQWFFAF-UHFFFAOYSA-N
XLogP3.28
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-methylphenyl)methyl]-1,4-benzothiazin-3-one
CID 774117
3-benzyl-2H-1,3-benzothiazole
CID 5080554
12-benzyl-6,11-dihydrobenzo[c][1,6]benzothiazocine
CID 165352100
1,3-dibenzyl-5,6-dimethylpyrimidine-2,4-dione
CID 11975773
3-benzyl-2H-1,3-benzothiazole;hydrobromide
CID 173117012
1-benzyl-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidine-2,4-dione
CID 15994737
6-amino-3-benzyl-1-(2-methylphenyl)pyrimidine-2,4-dione
CID 2823066
(5E)-3-benzyl-2-imino-5-(4-methyl-1,4-benzothiazin-3-ylidene)-1,3-thiazolidin-4-one
CID 142264437
4-[2-(4-benzyl-1,4-diazepan-1-yl)-2-oxoethyl]-1,4-benzothiazin-3-one
CID 18157500
3-benzyl-6-chloro-2,5-dimethylpyrimidin-4-one
CID 143373161
1-benzyl-2,2-dimethyl-3H-quinolin-4-one
CID 139227185
N-(4-benzyl-3-oxo-1,4-benzothiazin-6-yl)formamide
CID 53213308

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-methylimidazo[5,1-d][1,5]benzothiazepine-1,4-dione?
The IUPAC name of 2-benzyl-3-methylimidazo[5,1-d][1,5]benzothiazepine-1,4-dione (CID 11221378) is 2-benzyl-3-methylimidazo[5,1-d][1,5]benzothiazepine-1,4-dione.
What is the SMILES notation for 2-benzyl-3-methylimidazo[5,1-d][1,5]benzothiazepine-1,4-dione?
The canonical SMILES for 2-benzyl-3-methylimidazo[5,1-d][1,5]benzothiazepine-1,4-dione is Cc1c2n(c(=O)n1Cc1ccccc1)-c1ccccc1SCC2=O.
What is the InChIKey of 2-benzyl-3-methylimidazo[5,1-d][1,5]benzothiazepine-1,4-dione?
The InChIKey is IXCYPZUWQWFFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2S/c1-13-18-16(22)12-24-17-10-6-5-9-15(17)21(18)19(23)20(13)11-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3.
What are the key properties of 2-benzyl-3-methylimidazo[5,1-d][1,5]benzothiazepine-1,4-dione?
2-benzyl-3-methylimidazo[5,1-d][1,5]benzothiazepine-1,4-dione has a molecular weight of 336.42 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-methylimidazo[5,1-d][1,5]benzothiazepine-1,4-dione is sourced from PubChem (CID 11221378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).