2-[2-(5-methoxy-2-pyridinyl)-6-methylphenyl]sulfinyl-1H-benzimidazole

C20H17N3O2S — CID 10109320

IUPAC2-[2-(5-methoxy-2-pyridinyl)-6-methylphenyl]sulfinyl-1H-benzimidazole
SMILESCOc1ccc(-c2cccc(C)c2S(=O)c2nc3ccccc3[nH]2)nc1
InChIInChI=1S/C20H17N3O2S/c1-13-6-5-7-15(16-11-10-14(25-2)12-21-16)19(13)26(24)20-22-17-8-3-4-9-18(17)23-20/h3-12H,1-2H3,(H,22,23)
InChIKeyJJMPUUPAPKCIEQ-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.11
Rot. Bonds4

About 2-[2-(5-methoxy-2-pyridinyl)-6-methylphenyl]sulfinyl-1H-benzimidazole

2-[2-(5-methoxy-2-pyridinyl)-6-methylphenyl]sulfinyl-1H-benzimidazole (PubChem CID 10109320) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is 2-[2-(5-methoxy-2-pyridinyl)-6-methylphenyl]sulfinyl-1H-benzimidazole.

Molecular Properties

Compound Name2-[2-(5-methoxy-2-pyridinyl)-6-methylphenyl]sulfinyl-1H-benzimidazole
PubChem CID10109320
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC Name2-[2-(5-methoxy-2-pyridinyl)-6-methylphenyl]sulfinyl-1H-benzimidazole
SMILESCOc1ccc(-c2cccc(C)c2S(=O)c2nc3ccccc3[nH]2)nc1
InChIInChI=1S/C20H17N3O2S/c1-13-6-5-7-15(16-11-10-14(25-2)12-21-16)19(13)26(24)20-22-17-8-3-4-9-18(17)23-20/h3-12H,1-2H3,(H,22,23)
InChIKeyJJMPUUPAPKCIEQ-UHFFFAOYSA-N
XLogP4.11
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1H-benzimidazol-2-ylsulfinyl)-3-methylaniline
CID 67817601
2-[(4-methoxy-5-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole
CID 163684206
2-[2-(4-methyl-2-pyridinyl)phenyl]sulfinyl-1H-benzimidazole
CID 15059490
2-[(5-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole
CID 70405457
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-N,N,3-trimethylaniline
CID 14578624
2-[[4-(difluoromethoxy)-3,5-dimethyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole
CID 70279879
6-methoxy-2-(pyridin-2-ylmethylsulfinyl)-1H-benzimidazole
CID 13018818
2-[2-(3-ethyl-2-pyridinyl)phenyl]sulfinyl-1H-benzimidazole
CID 19866725
2-[(4-methylfuran-3-yl)methylsulfinyl]-1H-benzimidazole
CID 67700268
ethyl 6-ethoxy-2-[2-(4-methoxy-2-pyridinyl)phenyl]sulfinyl-3H-benzimidazole-5-carboxylate
CID 15059508
8-(1H-benzimidazol-2-ylsulfinylmethyl)-1-methyl-2,3-dihydroquinolin-4-one
CID 15053271
CID 67620713
CID 67620713

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-methoxy-2-pyridinyl)-6-methylphenyl]sulfinyl-1H-benzimidazole?
The IUPAC name of 2-[2-(5-methoxy-2-pyridinyl)-6-methylphenyl]sulfinyl-1H-benzimidazole (CID 10109320) is 2-[2-(5-methoxy-2-pyridinyl)-6-methylphenyl]sulfinyl-1H-benzimidazole.
What is the SMILES notation for 2-[2-(5-methoxy-2-pyridinyl)-6-methylphenyl]sulfinyl-1H-benzimidazole?
The canonical SMILES for 2-[2-(5-methoxy-2-pyridinyl)-6-methylphenyl]sulfinyl-1H-benzimidazole is COc1ccc(-c2cccc(C)c2S(=O)c2nc3ccccc3[nH]2)nc1.
What is the InChIKey of 2-[2-(5-methoxy-2-pyridinyl)-6-methylphenyl]sulfinyl-1H-benzimidazole?
The InChIKey is JJMPUUPAPKCIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S/c1-13-6-5-7-15(16-11-10-14(25-2)12-21-16)19(13)26(24)20-22-17-8-3-4-9-18(17)23-20/h3-12H,1-2H3,(H,22,23).
What are the key properties of 2-[2-(5-methoxy-2-pyridinyl)-6-methylphenyl]sulfinyl-1H-benzimidazole?
2-[2-(5-methoxy-2-pyridinyl)-6-methylphenyl]sulfinyl-1H-benzimidazole has a molecular weight of 363.44 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-methoxy-2-pyridinyl)-6-methylphenyl]sulfinyl-1H-benzimidazole is sourced from PubChem (CID 10109320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).