3H-benzimidazol-5-yl-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]methanone

C18H19N3O4S — CID 90590552

IUPAC3H-benzimidazol-5-yl-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc2nc[nH]c2c1)N1CCC(S(=O)(=O)Cc2ccco2)CC1
InChIInChI=1S/C18H19N3O4S/c22-18(13-3-4-16-17(10-13)20-12-19-16)21-7-5-15(6-8-21)26(23,24)11-14-2-1-9-25-14/h1-4,9-10,12,15H,5-8,11H2,(H,19,20)
InChIKeyPOXDPKVVBSEGMY-UHFFFAOYSA-N
MW373.43 g/mol
LogP2.38
Rot. Bonds4

About 3H-benzimidazol-5-yl-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]methanone

3H-benzimidazol-5-yl-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]methanone (PubChem CID 90590552) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is 3H-benzimidazol-5-yl-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name3H-benzimidazol-5-yl-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]methanone
PubChem CID90590552
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC Name3H-benzimidazol-5-yl-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc2nc[nH]c2c1)N1CCC(S(=O)(=O)Cc2ccco2)CC1
InChIInChI=1S/C18H19N3O4S/c22-18(13-3-4-16-17(10-13)20-12-19-16)21-7-5-15(6-8-21)26(23,24)11-14-2-1-9-25-14/h1-4,9-10,12,15H,5-8,11H2,(H,19,20)
InChIKeyPOXDPKVVBSEGMY-UHFFFAOYSA-N
XLogP2.38
TPSA96.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3H-benzimidazol-5-yl-(4-methylsulfonylpiperidin-1-yl)methanone
CID 90586479
(4-tert-butylphenyl)-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]methanone
CID 90590625
3H-benzimidazol-5-yl-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone
CID 110745920
3H-benzimidazol-5-yl-[7-(furan-2-yl)-1,4-thiazepan-4-yl]methanone
CID 90632074
[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 90590425
3H-benzimidazol-5-yl-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone
CID 90591860
[(3S)-3-(furan-2-ylmethylsulfonyl)pyrrolidin-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone
CID 99873527
[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 90590544
1-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-2-methylpropan-1-one
CID 90590612
3H-benzimidazol-5-yl-(4-methylpiperazin-1-yl)methanone
CID 18847527
1-(3H-benzimidazole-5-carbonyl)piperidin-4-one
CID 110483748
1-(3H-benzimidazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 63007156

Frequently Asked Questions

What is the IUPAC name of 3H-benzimidazol-5-yl-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]methanone?
The IUPAC name of 3H-benzimidazol-5-yl-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]methanone (CID 90590552) is 3H-benzimidazol-5-yl-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]methanone.
What is the SMILES notation for 3H-benzimidazol-5-yl-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]methanone?
The canonical SMILES for 3H-benzimidazol-5-yl-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]methanone is O=C(c1ccc2nc[nH]c2c1)N1CCC(S(=O)(=O)Cc2ccco2)CC1.
What is the InChIKey of 3H-benzimidazol-5-yl-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]methanone?
The InChIKey is POXDPKVVBSEGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c22-18(13-3-4-16-17(10-13)20-12-19-16)21-7-5-15(6-8-21)26(23,24)11-14-2-1-9-25-14/h1-4,9-10,12,15H,5-8,11H2,(H,19,20).
What are the key properties of 3H-benzimidazol-5-yl-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]methanone?
3H-benzimidazol-5-yl-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]methanone has a molecular weight of 373.43 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-benzimidazol-5-yl-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]methanone is sourced from PubChem (CID 90590552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).