1-[3-[2-(3-methylsulfonylphenyl)-2-pyridin-3-ylethyl]-2-pyridinyl]benzimidazole

C26H22N4O2S — CID 66829901

IUPAC1-[3-[2-(3-methylsulfonylphenyl)-2-pyridin-3-ylethyl]-2-pyridinyl]benzimidazole
SMILESCS(=O)(=O)c1cccc(C(Cc2cccnc2-n2cnc3ccccc32)c2cccnc2)c1
InChIInChI=1S/C26H22N4O2S/c1-33(31,32)22-10-4-7-19(15-22)23(21-9-5-13-27-17-21)16-20-8-6-14-28-26(20)30-18-29-24-11-2-3-12-25(24)30/h2-15,17-18,23H,16H2,1H3
InChIKeyHIDLKCROBXRUEY-UHFFFAOYSA-N
MW454.56 g/mol
LogP4.59
Rot. Bonds6

About 1-[3-[2-(3-methylsulfonylphenyl)-2-pyridin-3-ylethyl]-2-pyridinyl]benzimidazole

1-[3-[2-(3-methylsulfonylphenyl)-2-pyridin-3-ylethyl]-2-pyridinyl]benzimidazole (PubChem CID 66829901) has the molecular formula C26H22N4O2S and a molecular weight of 454.56 g/mol. Its IUPAC name is 1-[3-[2-(3-methylsulfonylphenyl)-2-pyridin-3-ylethyl]-2-pyridinyl]benzimidazole.

Molecular Properties

Compound Name1-[3-[2-(3-methylsulfonylphenyl)-2-pyridin-3-ylethyl]-2-pyridinyl]benzimidazole
PubChem CID66829901
Molecular FormulaC26H22N4O2S
Molecular Weight454.56 g/mol
Exact Mass454.15
IUPAC Name1-[3-[2-(3-methylsulfonylphenyl)-2-pyridin-3-ylethyl]-2-pyridinyl]benzimidazole
SMILESCS(=O)(=O)c1cccc(C(Cc2cccnc2-n2cnc3ccccc32)c2cccnc2)c1
InChIInChI=1S/C26H22N4O2S/c1-33(31,32)22-10-4-7-19(15-22)23(21-9-5-13-27-17-21)16-20-8-6-14-28-26(20)30-18-29-24-11-2-3-12-25(24)30/h2-15,17-18,23H,16H2,1H3
InChIKeyHIDLKCROBXRUEY-UHFFFAOYSA-N
XLogP4.59
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.56
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-ethyl-2-pyridinyl)benzimidazole
CID 148503736
(2S)-N-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-hydroxy-2-phenylpropanamide
CID 95191566
3-(2,2-dipyridin-3-ylethyl)-2-[(3S)-3-fluoropyrrolidin-1-yl]pyridine
CID 67265206
3-(3-methylsulfonylphenyl)pyridine;hydrochloride
CID 53406635
[1-(3-methylsulfonylphenyl)-2-pyridin-2-ylethyl]hydrazine
CID 105315250
(2S)-N-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-methyl-3-(1,2,4-triazol-1-yl)propanamide
CID 95223644
1-[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]-2,3,7,7a-tetrahydropyrrolo[2,3-b]pyridine
CID 16662670
1-(2-methylsulfonylpyrimidin-4-yl)benzimidazole
CID 15549640
3-(2,2-dipyridin-3-ylethyl)-2-(4-methylphenyl)pyridine
CID 66829361
3-(2,2-dipyridin-3-ylethyl)-N-ethyl-N-pyridin-3-ylpyridin-2-amine
CID 16662535
1-(2-ethylphenyl)benzimidazole
CID 22078308
3-(2,2-dipyridin-3-ylethyl)-N-methyl-N-pyridin-2-ylpyridin-2-amine
CID 16662379

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(3-methylsulfonylphenyl)-2-pyridin-3-ylethyl]-2-pyridinyl]benzimidazole?
The IUPAC name of 1-[3-[2-(3-methylsulfonylphenyl)-2-pyridin-3-ylethyl]-2-pyridinyl]benzimidazole (CID 66829901) is 1-[3-[2-(3-methylsulfonylphenyl)-2-pyridin-3-ylethyl]-2-pyridinyl]benzimidazole.
What is the SMILES notation for 1-[3-[2-(3-methylsulfonylphenyl)-2-pyridin-3-ylethyl]-2-pyridinyl]benzimidazole?
The canonical SMILES for 1-[3-[2-(3-methylsulfonylphenyl)-2-pyridin-3-ylethyl]-2-pyridinyl]benzimidazole is CS(=O)(=O)c1cccc(C(Cc2cccnc2-n2cnc3ccccc32)c2cccnc2)c1.
What is the InChIKey of 1-[3-[2-(3-methylsulfonylphenyl)-2-pyridin-3-ylethyl]-2-pyridinyl]benzimidazole?
The InChIKey is HIDLKCROBXRUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O2S/c1-33(31,32)22-10-4-7-19(15-22)23(21-9-5-13-27-17-21)16-20-8-6-14-28-26(20)30-18-29-24-11-2-3-12-25(24)30/h2-15,17-18,23H,16H2,1H3.
What are the key properties of 1-[3-[2-(3-methylsulfonylphenyl)-2-pyridin-3-ylethyl]-2-pyridinyl]benzimidazole?
1-[3-[2-(3-methylsulfonylphenyl)-2-pyridin-3-ylethyl]-2-pyridinyl]benzimidazole has a molecular weight of 454.56 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(3-methylsulfonylphenyl)-2-pyridin-3-ylethyl]-2-pyridinyl]benzimidazole is sourced from PubChem (CID 66829901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).