2-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole

C18H17F2N3O2S — CID 18575330

IUPAC2-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
SMILESO=S(=O)(c1cc(F)ccc1F)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C18H17F2N3O2S/c19-13-5-6-14(20)17(11-13)26(24,25)23-9-7-12(8-10-23)18-21-15-3-1-2-4-16(15)22-18/h1-6,11-12H,7-10H2,(H,21,22)
InChIKeyPTMOITLIFZUQEP-UHFFFAOYSA-N
MW377.42 g/mol
LogP3.41
Rot. Bonds3

About 2-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole

2-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole (PubChem CID 18575330) has the molecular formula C18H17F2N3O2S and a molecular weight of 377.42 g/mol. Its IUPAC name is 2-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
PubChem CID18575330
Molecular FormulaC18H17F2N3O2S
Molecular Weight377.42 g/mol
Exact Mass377.10
IUPAC Name2-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
SMILESO=S(=O)(c1cc(F)ccc1F)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C18H17F2N3O2S/c19-13-5-6-14(20)17(11-13)26(24,25)23-9-7-12(8-10-23)18-21-15-3-1-2-4-16(15)22-18/h1-6,11-12H,7-10H2,(H,21,22)
InChIKeyPTMOITLIFZUQEP-UHFFFAOYSA-N
XLogP3.41
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2,5-difluorophenyl)sulfonylazetidin-3-yl]-1H-benzimidazole
CID 90505896
2-[1-(3,5-dichlorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
CID 18268675
2-[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
CID 16582836
2-(1-ethylsulfonylpiperidin-4-yl)-1H-benzimidazole
CID 4626342
2-[1-(4-bromo-2,6-dichlorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
CID 112807240
2-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-1H-benzimidazole
CID 16582835
2-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]-1H-benzimidazole
CID 18148631
N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-4-fluorobenzamide
CID 16802929
5-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonyl-1,3-dimethylbenzimidazol-2-one
CID 172895773
2-[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]-1H-benzimidazole
CID 110404146
6-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 18133809
4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 24685775

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole?
The IUPAC name of 2-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole (CID 18575330) is 2-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole?
The canonical SMILES for 2-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole is O=S(=O)(c1cc(F)ccc1F)N1CCC(c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of 2-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole?
The InChIKey is PTMOITLIFZUQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O2S/c19-13-5-6-14(20)17(11-13)26(24,25)23-9-7-12(8-10-23)18-21-15-3-1-2-4-16(15)22-18/h1-6,11-12H,7-10H2,(H,21,22).
What are the key properties of 2-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole?
2-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole has a molecular weight of 377.42 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole is sourced from PubChem (CID 18575330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).