8-chloro-2,5-dimethyl-4,5-dihydroimidazo[2,1-d][1,5]benzothiazepine

C13H13ClN2S — CID 10015691

IUPAC8-chloro-2,5-dimethyl-4,5-dihydroimidazo[2,1-d][1,5]benzothiazepine
SMILESCc1cn2c(n1)CC(C)Sc1cc(Cl)ccc1-2
InChIInChI=1S/C13H13ClN2S/c1-8-7-16-11-4-3-10(14)6-12(11)17-9(2)5-13(16)15-8/h3-4,6-7,9H,5H2,1-2H3
InChIKeyOWNGXIXUYAAUQL-UHFFFAOYSA-N
MW264.78 g/mol
LogP3.87
Rot. Bonds

About 8-chloro-2,5-dimethyl-4,5-dihydroimidazo[2,1-d][1,5]benzothiazepine

8-chloro-2,5-dimethyl-4,5-dihydroimidazo[2,1-d][1,5]benzothiazepine (PubChem CID 10015691) has the molecular formula C13H13ClN2S and a molecular weight of 264.78 g/mol. Its IUPAC name is 8-chloro-2,5-dimethyl-4,5-dihydroimidazo[2,1-d][1,5]benzothiazepine.

Molecular Properties

Compound Name8-chloro-2,5-dimethyl-4,5-dihydroimidazo[2,1-d][1,5]benzothiazepine
PubChem CID10015691
Molecular FormulaC13H13ClN2S
Molecular Weight264.78 g/mol
Exact Mass264.05
IUPAC Name8-chloro-2,5-dimethyl-4,5-dihydroimidazo[2,1-d][1,5]benzothiazepine
SMILESCc1cn2c(n1)CC(C)Sc1cc(Cl)ccc1-2
InChIInChI=1S/C13H13ClN2S/c1-8-7-16-11-4-3-10(14)6-12(11)17-9(2)5-13(16)15-8/h3-4,6-7,9H,5H2,1-2H3
InChIKeyOWNGXIXUYAAUQL-UHFFFAOYSA-N
XLogP3.87
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.78
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-2,5-dimethyl-4,5-dihydroimidazo[2,1-d][1,5]benzothiazepine?
The IUPAC name of 8-chloro-2,5-dimethyl-4,5-dihydroimidazo[2,1-d][1,5]benzothiazepine (CID 10015691) is 8-chloro-2,5-dimethyl-4,5-dihydroimidazo[2,1-d][1,5]benzothiazepine.
What is the SMILES notation for 8-chloro-2,5-dimethyl-4,5-dihydroimidazo[2,1-d][1,5]benzothiazepine?
The canonical SMILES for 8-chloro-2,5-dimethyl-4,5-dihydroimidazo[2,1-d][1,5]benzothiazepine is Cc1cn2c(n1)CC(C)Sc1cc(Cl)ccc1-2.
What is the InChIKey of 8-chloro-2,5-dimethyl-4,5-dihydroimidazo[2,1-d][1,5]benzothiazepine?
The InChIKey is OWNGXIXUYAAUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2S/c1-8-7-16-11-4-3-10(14)6-12(11)17-9(2)5-13(16)15-8/h3-4,6-7,9H,5H2,1-2H3.
What are the key properties of 8-chloro-2,5-dimethyl-4,5-dihydroimidazo[2,1-d][1,5]benzothiazepine?
8-chloro-2,5-dimethyl-4,5-dihydroimidazo[2,1-d][1,5]benzothiazepine has a molecular weight of 264.78 g/mol, XLogP of 3.87, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2,5-dimethyl-4,5-dihydroimidazo[2,1-d][1,5]benzothiazepine is sourced from PubChem (CID 10015691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).