2-[(5-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole

C14H13N3OS — CID 70405457

IUPAC2-[(5-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole
SMILESCc1ccc(CS(=O)c2nc3ccccc3[nH]2)nc1
InChIInChI=1S/C14H13N3OS/c1-10-6-7-11(15-8-10)9-19(18)14-16-12-4-2-3-5-13(12)17-14/h2-8H,9H2,1H3,(H,16,17)
InChIKeyZFUVBCOUKXFRIG-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.57
Rot. Bonds3

About 2-[(5-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole

2-[(5-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole (PubChem CID 70405457) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is 2-[(5-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[(5-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole
PubChem CID70405457
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name2-[(5-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole
SMILESCc1ccc(CS(=O)c2nc3ccccc3[nH]2)nc1
InChIInChI=1S/C14H13N3OS/c1-10-6-7-11(15-8-10)9-19(18)14-16-12-4-2-3-5-13(12)17-14/h2-8H,9H2,1H3,(H,16,17)
InChIKeyZFUVBCOUKXFRIG-UHFFFAOYSA-N
XLogP2.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-methoxy-5-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole
CID 163684206
2-[(5-methyl-4-phenylmethoxy-2-pyridinyl)methylsulfinyl]-1H-benzimidazole
CID 70481786
5-(1H-benzimidazol-2-ylsulfinylmethyl)pyridin-2-amine;hydrate
CID 22394087
2-[(4-methylfuran-3-yl)methylsulfinyl]-1H-benzimidazole
CID 67700268
2-(1H-benzimidazol-2-ylsulfinylmethyl)-4,6-dimethylaniline
CID 14064700
2-(1H-benzimidazol-2-ylsulfinylmethyl)-3,6-dimethylaniline;hydrate
CID 22394066
1H-benzimidazole-2-sulfinate
CID 23000784
2-[[4-(difluoromethoxy)-3,5-dimethyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole
CID 70279879
2-[[4-(2-ethoxyethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole
CID 112758398
[2-(1H-benzimidazol-2-ylsulfinylmethyl)-3-methyl-4-pyridinyl]oxymethanol
CID 154535970
2-(1H-benzimidazol-2-ylsulfinylmethyl)-3,4,5-trimethylaniline;hydrate
CID 87999037
6-tert-butyl-2-(pyridin-2-ylmethylsulfinyl)-1H-benzimidazole
CID 20518169

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole?
The IUPAC name of 2-[(5-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole (CID 70405457) is 2-[(5-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole.
What is the SMILES notation for 2-[(5-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole?
The canonical SMILES for 2-[(5-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole is Cc1ccc(CS(=O)c2nc3ccccc3[nH]2)nc1.
What is the InChIKey of 2-[(5-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole?
The InChIKey is ZFUVBCOUKXFRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-10-6-7-11(15-8-10)9-19(18)14-16-12-4-2-3-5-13(12)17-14/h2-8H,9H2,1H3,(H,16,17).
What are the key properties of 2-[(5-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole?
2-[(5-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole has a molecular weight of 271.35 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole is sourced from PubChem (CID 70405457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).