1-[1-(benzenesulfonyl)piperidin-4-yl]-5-fluoro-2-methylbenzimidazole

C19H20FN3O2S — CID 646820

IUPAC1-[1-(benzenesulfonyl)piperidin-4-yl]-5-fluoro-2-methylbenzimidazole
SMILESCc1nc2cc(F)ccc2n1C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C19H20FN3O2S/c1-14-21-18-13-15(20)7-8-19(18)23(14)16-9-11-22(12-10-16)26(24,25)17-5-3-2-4-6-17/h2-8,13,16H,9-12H2,1H3
InChIKeyOLLOGQJEBUSSNE-UHFFFAOYSA-N
MW373.45 g/mol
LogP3.51
Rot. Bonds3

About 1-[1-(benzenesulfonyl)piperidin-4-yl]-5-fluoro-2-methylbenzimidazole

1-[1-(benzenesulfonyl)piperidin-4-yl]-5-fluoro-2-methylbenzimidazole (PubChem CID 646820) has the molecular formula C19H20FN3O2S and a molecular weight of 373.45 g/mol. Its IUPAC name is 1-[1-(benzenesulfonyl)piperidin-4-yl]-5-fluoro-2-methylbenzimidazole.

Molecular Properties

Compound Name1-[1-(benzenesulfonyl)piperidin-4-yl]-5-fluoro-2-methylbenzimidazole
PubChem CID646820
Molecular FormulaC19H20FN3O2S
Molecular Weight373.45 g/mol
Exact Mass373.13
IUPAC Name1-[1-(benzenesulfonyl)piperidin-4-yl]-5-fluoro-2-methylbenzimidazole
SMILESCc1nc2cc(F)ccc2n1C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C19H20FN3O2S/c1-14-21-18-13-15(20)7-8-19(18)23(14)16-9-11-22(12-10-16)26(24,25)17-5-3-2-4-6-17/h2-8,13,16H,9-12H2,1H3
InChIKeyOLLOGQJEBUSSNE-UHFFFAOYSA-N
XLogP3.51
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(benzenesulfonyl)piperidin-4-yl]-5-fluoro-2-methylbenzimidazole?
The IUPAC name of 1-[1-(benzenesulfonyl)piperidin-4-yl]-5-fluoro-2-methylbenzimidazole (CID 646820) is 1-[1-(benzenesulfonyl)piperidin-4-yl]-5-fluoro-2-methylbenzimidazole.
What is the SMILES notation for 1-[1-(benzenesulfonyl)piperidin-4-yl]-5-fluoro-2-methylbenzimidazole?
The canonical SMILES for 1-[1-(benzenesulfonyl)piperidin-4-yl]-5-fluoro-2-methylbenzimidazole is Cc1nc2cc(F)ccc2n1C1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-[1-(benzenesulfonyl)piperidin-4-yl]-5-fluoro-2-methylbenzimidazole?
The InChIKey is OLLOGQJEBUSSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2S/c1-14-21-18-13-15(20)7-8-19(18)23(14)16-9-11-22(12-10-16)26(24,25)17-5-3-2-4-6-17/h2-8,13,16H,9-12H2,1H3.
What are the key properties of 1-[1-(benzenesulfonyl)piperidin-4-yl]-5-fluoro-2-methylbenzimidazole?
1-[1-(benzenesulfonyl)piperidin-4-yl]-5-fluoro-2-methylbenzimidazole has a molecular weight of 373.45 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(benzenesulfonyl)piperidin-4-yl]-5-fluoro-2-methylbenzimidazole is sourced from PubChem (CID 646820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).