2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone

C20H22N4OS — CID 3227731

IUPAC2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone
SMILESCC1CCCCN1C(=O)CSc1ncccc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C20H22N4OS/c1-14-7-4-5-12-24(14)18(25)13-26-20-15(8-6-11-21-20)19-22-16-9-2-3-10-17(16)23-19/h2-3,6,8-11,14H,4-5,7,12-13H2,1H3,(H,22,23)
InChIKeyMNOVGYVKZPQQDX-UHFFFAOYSA-N
MW366.49 g/mol
LogP4.12
Rot. Bonds4

About 2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone

2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone (PubChem CID 3227731) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is 2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone
PubChem CID3227731
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC Name2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone
SMILESCC1CCCCN1C(=O)CSc1ncccc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C20H22N4OS/c1-14-7-4-5-12-24(14)18(25)13-26-20-15(8-6-11-21-20)19-22-16-9-2-3-10-17(16)23-19/h2-3,6,8-11,14H,4-5,7,12-13H2,1H3,(H,22,23)
InChIKeyMNOVGYVKZPQQDX-UHFFFAOYSA-N
XLogP4.12
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone with MolForge

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Related Compounds

2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-1-[(2R)-2-ethylpiperidin-1-yl]ethanone
CID 1432571
2-[[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 1432378
methyl 2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]acetate
CID 645213
2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-1-(2-methylpiperidin-1-yl)ethanone
CID 20887458
2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 1432451
2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 43817325
2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(3,5-dimethoxyphenyl)acetamide
CID 1432550
1-acetyl-N-[2-(1H-benzimidazol-2-yl)phenyl]pyrrolidine-2-carboxamide
CID 78798447
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 2087301
2-[(6-amino-1H-benzimidazol-2-yl)sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone
CID 115979905
2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 7296297
2-[[5-(4-methylphenyl)sulfonyl-2-phenyl-1H-imidazol-4-yl]sulfanyl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 42486651

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone (CID 3227731) is 2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone is CC1CCCCN1C(=O)CSc1ncccc1-c1nc2ccccc2[nH]1.
What is the InChIKey of 2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone?
The InChIKey is MNOVGYVKZPQQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c1-14-7-4-5-12-24(14)18(25)13-26-20-15(8-6-11-21-20)19-22-16-9-2-3-10-17(16)23-19/h2-3,6,8-11,14H,4-5,7,12-13H2,1H3,(H,22,23).
What are the key properties of 2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone?
2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone has a molecular weight of 366.49 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 3227731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).