7-deuterio-7,12-dihydrobenzimidazolo[2,1-c][2,4]benzothiazepine 6,6-dioxide

C15H12N2O2S — CID 10589198

IUPAC7-deuterio-7,12-dihydrobenzimidazolo[2,1-c][2,4]benzothiazepine 6,6-dioxide
SMILES[2H]C1c2ccccc2Cn2c(nc3ccccc32)S1(=O)=O
InChIInChI=1S/C15H12N2O2S/c18-20(19)10-12-6-2-1-5-11(12)9-17-14-8-4-3-7-13(14)16-15(17)20/h1-8H,9-10H2/i10D
InChIKeyYSTXAAHHKYRVNC-MMIHMFRQSA-N
MW285.35 g/mol
LogP2.37
Rot. Bonds

About 7-deuterio-7,12-dihydrobenzimidazolo[2,1-c][2,4]benzothiazepine 6,6-dioxide

7-deuterio-7,12-dihydrobenzimidazolo[2,1-c][2,4]benzothiazepine 6,6-dioxide (PubChem CID 10589198) has the molecular formula C15H12N2O2S and a molecular weight of 285.35 g/mol. Its IUPAC name is 7-deuterio-7,12-dihydrobenzimidazolo[2,1-c][2,4]benzothiazepine 6,6-dioxide.

Molecular Properties

Compound Name7-deuterio-7,12-dihydrobenzimidazolo[2,1-c][2,4]benzothiazepine 6,6-dioxide
PubChem CID10589198
Molecular FormulaC15H12N2O2S
Molecular Weight285.35 g/mol
Exact Mass285.07
IUPAC Name7-deuterio-7,12-dihydrobenzimidazolo[2,1-c][2,4]benzothiazepine 6,6-dioxide
SMILES[2H]C1c2ccccc2Cn2c(nc3ccccc32)S1(=O)=O
InChIInChI=1S/C15H12N2O2S/c18-20(19)10-12-6-2-1-5-11(12)9-17-14-8-4-3-7-13(14)16-15(17)20/h1-8H,9-10H2/i10D
InChIKeyYSTXAAHHKYRVNC-MMIHMFRQSA-N
XLogP2.37
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-deuterio-7-phenylselanyl-12H-benzimidazolo[2,1-c][2,4]benzothiazepine 6,6-dioxide
CID 10765556
7-phenylselanyl-7,12-dihydrobenzimidazolo[2,1-c][2,4]benzothiazepine 6,6-dioxide
CID 10717904
1H-[1,3]thiazolo[3,2-a]benzimidazol-2-one
CID 156583377
3,10,17,24-tetrazapentacyclo[15.7.0.02,10.04,9.018,23]tetracosa-1(24),2,4,6,8,18,20,22-octaene-13,14-diol
CID 122388801
3-[3-(trifluoromethyl)phenyl]sulfonyl-1,2-dihydroimidazo[1,2-a]benzimidazole
CID 25334486
3-(2-methylbenzimidazol-1-yl)thietane 1,1-dioxide
CID 139266953
2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)ethanamine
CID 96619297
(1S)-1-methyl-3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazole
CID 15939310
2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)ethanol
CID 19876800
4-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]-1,4-thiazinane 1,1-dioxide
CID 77096772
2-[(4-methylpiperazin-1-yl)methyl]-1-propylbenzimidazole
CID 2985021
(2R)-2-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole
CID 93477443

Frequently Asked Questions

What is the IUPAC name of 7-deuterio-7,12-dihydrobenzimidazolo[2,1-c][2,4]benzothiazepine 6,6-dioxide?
The IUPAC name of 7-deuterio-7,12-dihydrobenzimidazolo[2,1-c][2,4]benzothiazepine 6,6-dioxide (CID 10589198) is 7-deuterio-7,12-dihydrobenzimidazolo[2,1-c][2,4]benzothiazepine 6,6-dioxide.
What is the SMILES notation for 7-deuterio-7,12-dihydrobenzimidazolo[2,1-c][2,4]benzothiazepine 6,6-dioxide?
The canonical SMILES for 7-deuterio-7,12-dihydrobenzimidazolo[2,1-c][2,4]benzothiazepine 6,6-dioxide is [2H]C1c2ccccc2Cn2c(nc3ccccc32)S1(=O)=O.
What is the InChIKey of 7-deuterio-7,12-dihydrobenzimidazolo[2,1-c][2,4]benzothiazepine 6,6-dioxide?
The InChIKey is YSTXAAHHKYRVNC-MMIHMFRQSA-N. The full InChI is InChI=1S/C15H12N2O2S/c18-20(19)10-12-6-2-1-5-11(12)9-17-14-8-4-3-7-13(14)16-15(17)20/h1-8H,9-10H2/i10D.
What are the key properties of 7-deuterio-7,12-dihydrobenzimidazolo[2,1-c][2,4]benzothiazepine 6,6-dioxide?
7-deuterio-7,12-dihydrobenzimidazolo[2,1-c][2,4]benzothiazepine 6,6-dioxide has a molecular weight of 285.35 g/mol, XLogP of 2.37, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-deuterio-7,12-dihydrobenzimidazolo[2,1-c][2,4]benzothiazepine 6,6-dioxide is sourced from PubChem (CID 10589198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).