1-[2-[(3R)-3-methylpiperidin-1-yl]sulfonylethyl]benzimidazole

C15H21N3O2S — CID 41421069

IUPAC1-[2-[(3R)-3-methylpiperidin-1-yl]sulfonylethyl]benzimidazole
SMILESC[C@@H]1CCCN(S(=O)(=O)CCn2cnc3ccccc32)C1
InChIInChI=1S/C15H21N3O2S/c1-13-5-4-8-18(11-13)21(19,20)10-9-17-12-16-14-6-2-3-7-15(14)17/h2-3,6-7,12-13H,4-5,8-11H2,1H3/t13-/m1/s1
InChIKeyKVQZIZIQDHSBPH-CYBMUJFWSA-N
MW307.42 g/mol
LogP2.10
Rot. Bonds4

About 1-[2-[(3R)-3-methylpiperidin-1-yl]sulfonylethyl]benzimidazole

1-[2-[(3R)-3-methylpiperidin-1-yl]sulfonylethyl]benzimidazole (PubChem CID 41421069) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 1-[2-[(3R)-3-methylpiperidin-1-yl]sulfonylethyl]benzimidazole.

Molecular Properties

Compound Name1-[2-[(3R)-3-methylpiperidin-1-yl]sulfonylethyl]benzimidazole
PubChem CID41421069
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name1-[2-[(3R)-3-methylpiperidin-1-yl]sulfonylethyl]benzimidazole
SMILESC[C@@H]1CCCN(S(=O)(=O)CCn2cnc3ccccc32)C1
InChIInChI=1S/C15H21N3O2S/c1-13-5-4-8-18(11-13)21(19,20)10-9-17-12-16-14-6-2-3-7-15(14)17/h2-3,6-7,12-13H,4-5,8-11H2,1H3/t13-/m1/s1
InChIKeyKVQZIZIQDHSBPH-CYBMUJFWSA-N
XLogP2.10
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[2-(benzimidazol-1-yl)ethylsulfonyl]piperidine-4-carboxylate
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1-[4-[2-(benzimidazol-1-yl)ethylsulfonyl]-1,4-diazepan-1-yl]butan-1-one
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N'-[3-(benzimidazol-1-yl)propyl]-N-ethyl-3-methylpiperidine-1-carboximidamide
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N'-[3-(benzimidazol-1-yl)propyl]-N-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111145475
2-(benzimidazol-1-yl)ethanesulfonyl fluoride
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1-[(4-methylsulfonylpiperazin-1-yl)methyl]benzimidazole
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N-[3-(benzimidazol-1-yl)propyl]-4-methylcyclohexan-1-amine
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2-(benzimidazol-1-yl)-1-(3-methylpiperidin-1-yl)propan-1-one
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N-[2-[(3S)-3-methylpiperidin-1-yl]sulfonylethyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3R)-3-methylpiperidin-1-yl]sulfonylethyl]benzimidazole?
The IUPAC name of 1-[2-[(3R)-3-methylpiperidin-1-yl]sulfonylethyl]benzimidazole (CID 41421069) is 1-[2-[(3R)-3-methylpiperidin-1-yl]sulfonylethyl]benzimidazole.
What is the SMILES notation for 1-[2-[(3R)-3-methylpiperidin-1-yl]sulfonylethyl]benzimidazole?
The canonical SMILES for 1-[2-[(3R)-3-methylpiperidin-1-yl]sulfonylethyl]benzimidazole is C[C@@H]1CCCN(S(=O)(=O)CCn2cnc3ccccc32)C1.
What is the InChIKey of 1-[2-[(3R)-3-methylpiperidin-1-yl]sulfonylethyl]benzimidazole?
The InChIKey is KVQZIZIQDHSBPH-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-13-5-4-8-18(11-13)21(19,20)10-9-17-12-16-14-6-2-3-7-15(14)17/h2-3,6-7,12-13H,4-5,8-11H2,1H3/t13-/m1/s1.
What are the key properties of 1-[2-[(3R)-3-methylpiperidin-1-yl]sulfonylethyl]benzimidazole?
1-[2-[(3R)-3-methylpiperidin-1-yl]sulfonylethyl]benzimidazole has a molecular weight of 307.42 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3R)-3-methylpiperidin-1-yl]sulfonylethyl]benzimidazole is sourced from PubChem (CID 41421069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).