4-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]-1,4-thiazinane 1,1-dioxide

C16H23N3O2S — CID 77096772

IUPAC4-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]-1,4-thiazinane 1,1-dioxide
SMILESCC(C)Cn1c(CN2CCS(=O)(=O)CC2)nc2ccccc21
InChIInChI=1S/C16H23N3O2S/c1-13(2)11-19-15-6-4-3-5-14(15)17-16(19)12-18-7-9-22(20,21)10-8-18/h3-6,13H,7-12H2,1-2H3
InChIKeyFGVUYERHZOIZHN-UHFFFAOYSA-N
MW321.45 g/mol
LogP1.92
Rot. Bonds4

About 4-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]-1,4-thiazinane 1,1-dioxide

4-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]-1,4-thiazinane 1,1-dioxide (PubChem CID 77096772) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is 4-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]-1,4-thiazinane 1,1-dioxide
PubChem CID77096772
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC Name4-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]-1,4-thiazinane 1,1-dioxide
SMILESCC(C)Cn1c(CN2CCS(=O)(=O)CC2)nc2ccccc21
InChIInChI=1S/C16H23N3O2S/c1-13(2)11-19-15-6-4-3-5-14(15)17-16(19)12-18-7-9-22(20,21)10-8-18/h3-6,13H,7-12H2,1-2H3
InChIKeyFGVUYERHZOIZHN-UHFFFAOYSA-N
XLogP1.92
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzotriazole
CID 5272036
2-[(4-methylpiperazin-1-yl)methyl]-1-propylbenzimidazole
CID 2985021
2-methyl-3-[2-(piperidin-1-ylmethyl)benzimidazol-1-yl]propanenitrile
CID 82311077
2-[(4-methylpiperazin-1-yl)methyl]-1-propylbenzimidazole;hydrochloride
CID 171151742
4-methyl-6-[4-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]piperazin-1-yl]pyrimidin-2-amine
CID 50965423
(3S)-1-[1-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]piperidin-4-yl]piperidin-3-ol
CID 95135172
[1-(2-methylpropyl)benzimidazol-2-yl]methanamine;dihydrochloride
CID 163331235
2-[[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]methyl]-1-(2-methylpropyl)benzimidazole
CID 46991593
(3S,3aS,6aR)-N,N-dimethyl-5-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]-1,1-dioxo-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine;formic acid
CID 163334085
1-ethyl-2-(piperazin-1-ylmethyl)benzimidazole
CID 62318122
N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]acetamide
CID 3995612
N-[[1-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide
CID 131933136

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]-1,4-thiazinane 1,1-dioxide (CID 77096772) is 4-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]-1,4-thiazinane 1,1-dioxide is CC(C)Cn1c(CN2CCS(=O)(=O)CC2)nc2ccccc21.
What is the InChIKey of 4-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is FGVUYERHZOIZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-13(2)11-19-15-6-4-3-5-14(15)17-16(19)12-18-7-9-22(20,21)10-8-18/h3-6,13H,7-12H2,1-2H3.
What are the key properties of 4-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]-1,4-thiazinane 1,1-dioxide?
4-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 321.45 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 77096772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).