2-[2-(3-ethyl-2-pyridinyl)phenyl]sulfinyl-1H-benzimidazole

C20H17N3OS — CID 19866725

IUPAC2-[2-(3-ethyl-2-pyridinyl)phenyl]sulfinyl-1H-benzimidazole
SMILESCCc1cccnc1-c1ccccc1S(=O)c1nc2ccccc2[nH]1
InChIInChI=1S/C20H17N3OS/c1-2-14-8-7-13-21-19(14)15-9-3-6-12-18(15)25(24)20-22-16-10-4-5-11-17(16)23-20/h3-13H,2H2,1H3,(H,22,23)
InChIKeyXRCRRRJQICLVIR-UHFFFAOYSA-N
MW347.44 g/mol
LogP4.35
Rot. Bonds4

About 2-[2-(3-ethyl-2-pyridinyl)phenyl]sulfinyl-1H-benzimidazole

2-[2-(3-ethyl-2-pyridinyl)phenyl]sulfinyl-1H-benzimidazole (PubChem CID 19866725) has the molecular formula C20H17N3OS and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-[2-(3-ethyl-2-pyridinyl)phenyl]sulfinyl-1H-benzimidazole.

Molecular Properties

Compound Name2-[2-(3-ethyl-2-pyridinyl)phenyl]sulfinyl-1H-benzimidazole
PubChem CID19866725
Molecular FormulaC20H17N3OS
Molecular Weight347.44 g/mol
Exact Mass347.11
IUPAC Name2-[2-(3-ethyl-2-pyridinyl)phenyl]sulfinyl-1H-benzimidazole
SMILESCCc1cccnc1-c1ccccc1S(=O)c1nc2ccccc2[nH]1
InChIInChI=1S/C20H17N3OS/c1-2-14-8-7-13-21-19(14)15-9-3-6-12-18(15)25(24)20-22-16-10-4-5-11-17(16)23-20/h3-13H,2H2,1H3,(H,22,23)
InChIKeyXRCRRRJQICLVIR-UHFFFAOYSA-N
XLogP4.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-methyl-2-pyridinyl)phenyl]sulfinyl-1H-benzimidazole
CID 15059490
3-(3-ethyl-2-pyridinyl)-1H-quinolin-2-one
CID 139729736
2-(2-pyridin-2-ylphenyl)sulfinyl-4-(trifluoromethyl)-1H-benzimidazole
CID 19866742
1H-benzimidazole-2-sulfinate
CID 23000784
1H-benzimidazol-2-ylsulfinyl(pyridin-2-yl)methanol
CID 90177935
3-(3-ethyl-2-pyridinyl)-2-(2-hydroxyphenyl)phenol
CID 139729583
2-[4-(2-methylsulfinylphenyl)phenyl]-1H-benzimidazole
CID 168555497
2-[2-(5-methoxy-2-pyridinyl)-6-methylphenyl]sulfinyl-1H-benzimidazole
CID 10109320
2-(1H-benzimidazol-2-ylsulfinyl)-3-methylaniline
CID 67817601
ethyl 6-ethoxy-2-[2-(4-methoxy-2-pyridinyl)phenyl]sulfinyl-3H-benzimidazole-5-carboxylate
CID 15059508
2-(3-bromo-2-pyridinyl)-3-ethylpyridine
CID 167433763
2-(2-ethylphenyl)-3-phenylpyridine
CID 175810753

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-ethyl-2-pyridinyl)phenyl]sulfinyl-1H-benzimidazole?
The IUPAC name of 2-[2-(3-ethyl-2-pyridinyl)phenyl]sulfinyl-1H-benzimidazole (CID 19866725) is 2-[2-(3-ethyl-2-pyridinyl)phenyl]sulfinyl-1H-benzimidazole.
What is the SMILES notation for 2-[2-(3-ethyl-2-pyridinyl)phenyl]sulfinyl-1H-benzimidazole?
The canonical SMILES for 2-[2-(3-ethyl-2-pyridinyl)phenyl]sulfinyl-1H-benzimidazole is CCc1cccnc1-c1ccccc1S(=O)c1nc2ccccc2[nH]1.
What is the InChIKey of 2-[2-(3-ethyl-2-pyridinyl)phenyl]sulfinyl-1H-benzimidazole?
The InChIKey is XRCRRRJQICLVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3OS/c1-2-14-8-7-13-21-19(14)15-9-3-6-12-18(15)25(24)20-22-16-10-4-5-11-17(16)23-20/h3-13H,2H2,1H3,(H,22,23).
What are the key properties of 2-[2-(3-ethyl-2-pyridinyl)phenyl]sulfinyl-1H-benzimidazole?
2-[2-(3-ethyl-2-pyridinyl)phenyl]sulfinyl-1H-benzimidazole has a molecular weight of 347.44 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-ethyl-2-pyridinyl)phenyl]sulfinyl-1H-benzimidazole is sourced from PubChem (CID 19866725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).