1,6-dimethyl-2-[(3,4,5-trimethyl-2-pyridinyl)methylsulfinyl]benzimidazole

C18H21N3OS — CID 54230182

IUPAC1,6-dimethyl-2-[(3,4,5-trimethyl-2-pyridinyl)methylsulfinyl]benzimidazole
SMILESCc1ccc2nc(S(=O)Cc3ncc(C)c(C)c3C)n(C)c2c1
InChIInChI=1S/C18H21N3OS/c1-11-6-7-15-17(8-11)21(5)18(20-15)23(22)10-16-14(4)13(3)12(2)9-19-16/h6-9H,10H2,1-5H3
InChIKeyQIRXNRJGTBYYIE-UHFFFAOYSA-N
MW327.45 g/mol
LogP3.51
Rot. Bonds3

About 1,6-dimethyl-2-[(3,4,5-trimethyl-2-pyridinyl)methylsulfinyl]benzimidazole

1,6-dimethyl-2-[(3,4,5-trimethyl-2-pyridinyl)methylsulfinyl]benzimidazole (PubChem CID 54230182) has the molecular formula C18H21N3OS and a molecular weight of 327.45 g/mol. Its IUPAC name is 1,6-dimethyl-2-[(3,4,5-trimethyl-2-pyridinyl)methylsulfinyl]benzimidazole.

Molecular Properties

Compound Name1,6-dimethyl-2-[(3,4,5-trimethyl-2-pyridinyl)methylsulfinyl]benzimidazole
PubChem CID54230182
Molecular FormulaC18H21N3OS
Molecular Weight327.45 g/mol
Exact Mass327.14
IUPAC Name1,6-dimethyl-2-[(3,4,5-trimethyl-2-pyridinyl)methylsulfinyl]benzimidazole
SMILESCc1ccc2nc(S(=O)Cc3ncc(C)c(C)c3C)n(C)c2c1
InChIInChI=1S/C18H21N3OS/c1-11-6-7-15-17(8-11)21(5)18(20-15)23(22)10-16-14(4)13(3)12(2)9-19-16/h6-9H,10H2,1-5H3
InChIKeyQIRXNRJGTBYYIE-UHFFFAOYSA-N
XLogP3.51
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

NS-2710
CID 9863520
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CID 2873568
Timoprazole
CID 72171
Disuprazole
CID 65861
6-methyl-2-(pyridin-2-ylmethylsulfanyl)-1H-benzimidazole
CID 3012527
5,7-dimethyl-2-((1-methyl-4-phenyl-1H-imidazol-2-ylthio)methyl)imidazo[1,2-a]pyrimidine
CID 44548780
1-Benzyl-2-phenyl-6,7-di-hydro-5h-imidazo[2,1-b][1,3]thiazinium bromide
CID 15420790
4-[5-(4-Fluorophenyl)-3-(3-methylsulfonylpropyl)imidazol-4-yl]pyridine
CID 10689819
1-(1-Ethoxy-ethyl)-2-(4-ethylsulfanyl-3-methyl-pyridin-2-ylmethanesulfinyl)-1H-benzoimidazole
CID 14877919
4-[4-(4-Methyl-3-pyridinyl)benzimidazol-1-yl]-1,3-thiazole
CID 56952125
1-Cyclopropyl-4-(4-methyl-3-pyridinyl)benzimidazole
CID 56952128
2-[4-(4-Methyl-3-pyridinyl)benzimidazol-1-yl]-1,3-thiazole
CID 56953325

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-2-[(3,4,5-trimethyl-2-pyridinyl)methylsulfinyl]benzimidazole?
The IUPAC name of 1,6-dimethyl-2-[(3,4,5-trimethyl-2-pyridinyl)methylsulfinyl]benzimidazole (CID 54230182) is 1,6-dimethyl-2-[(3,4,5-trimethyl-2-pyridinyl)methylsulfinyl]benzimidazole.
What is the SMILES notation for 1,6-dimethyl-2-[(3,4,5-trimethyl-2-pyridinyl)methylsulfinyl]benzimidazole?
The canonical SMILES for 1,6-dimethyl-2-[(3,4,5-trimethyl-2-pyridinyl)methylsulfinyl]benzimidazole is Cc1ccc2nc(S(=O)Cc3ncc(C)c(C)c3C)n(C)c2c1.
What is the InChIKey of 1,6-dimethyl-2-[(3,4,5-trimethyl-2-pyridinyl)methylsulfinyl]benzimidazole?
The InChIKey is QIRXNRJGTBYYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3OS/c1-11-6-7-15-17(8-11)21(5)18(20-15)23(22)10-16-14(4)13(3)12(2)9-19-16/h6-9H,10H2,1-5H3.
What are the key properties of 1,6-dimethyl-2-[(3,4,5-trimethyl-2-pyridinyl)methylsulfinyl]benzimidazole?
1,6-dimethyl-2-[(3,4,5-trimethyl-2-pyridinyl)methylsulfinyl]benzimidazole has a molecular weight of 327.45 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-2-[(3,4,5-trimethyl-2-pyridinyl)methylsulfinyl]benzimidazole is sourced from PubChem (CID 54230182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).