2-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]-1H-benzimidazole

C18H26N4O2S — CID 18148631

IUPAC2-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]-1H-benzimidazole
SMILESO=S(=O)(N1CCCCCC1)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C18H26N4O2S/c23-25(24,21-11-5-1-2-6-12-21)22-13-9-15(10-14-22)18-19-16-7-3-4-8-17(16)20-18/h3-4,7-8,15H,1-2,5-6,9-14H2,(H,19,20)
InChIKeyZUJZOOFXKVSNSU-UHFFFAOYSA-N
MW362.50 g/mol
LogP2.86
Rot. Bonds3

About 2-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]-1H-benzimidazole

2-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]-1H-benzimidazole (PubChem CID 18148631) has the molecular formula C18H26N4O2S and a molecular weight of 362.50 g/mol. Its IUPAC name is 2-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]-1H-benzimidazole
PubChem CID18148631
Molecular FormulaC18H26N4O2S
Molecular Weight362.50 g/mol
Exact Mass362.18
IUPAC Name2-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]-1H-benzimidazole
SMILESO=S(=O)(N1CCCCCC1)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C18H26N4O2S/c23-25(24,21-11-5-1-2-6-12-21)22-13-9-15(10-14-22)18-19-16-7-3-4-8-17(16)20-18/h3-4,7-8,15H,1-2,5-6,9-14H2,(H,19,20)
InChIKeyZUJZOOFXKVSNSU-UHFFFAOYSA-N
XLogP2.86
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-ethylsulfonylpiperidin-4-yl)-1H-benzimidazole
CID 4626342
ethyl (3S)-1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylpiperidine-3-carboxylate
CID 25330284
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-(4-bromo-2,6-dichlorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
CID 112807240
2-[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]-1H-benzimidazole
CID 110404146
2-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
CID 18575330
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-piperazin-1-ylmethanone
CID 142409937
2-(1-benzylsulfonylpiperidin-3-yl)-1H-benzimidazole
CID 91946903
molecular hydrogen;2-[1-(4-phenoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
CID 142409926
[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone
CID 90505755
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-(azepan-1-ylsulfonyl)piperidin-4-yl]-1H-benzimidazole?
The IUPAC name of 2-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]-1H-benzimidazole (CID 18148631) is 2-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]-1H-benzimidazole?
The canonical SMILES for 2-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]-1H-benzimidazole is O=S(=O)(N1CCCCCC1)N1CCC(c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of 2-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]-1H-benzimidazole?
The InChIKey is ZUJZOOFXKVSNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2S/c23-25(24,21-11-5-1-2-6-12-21)22-13-9-15(10-14-22)18-19-16-7-3-4-8-17(16)20-18/h3-4,7-8,15H,1-2,5-6,9-14H2,(H,19,20).
What are the key properties of 2-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]-1H-benzimidazole?
2-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]-1H-benzimidazole has a molecular weight of 362.50 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]-1H-benzimidazole is sourced from PubChem (CID 18148631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).