2-[1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]piperidin-4-yl]-1H-benzimidazole

C17H21N5O2S — CID 131934260

IUPAC2-[1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]piperidin-4-yl]-1H-benzimidazole
SMILESCCc1ncc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)[nH]1
InChIInChI=1S/C17H21N5O2S/c1-2-15-18-11-16(21-15)25(23,24)22-9-7-12(8-10-22)17-19-13-5-3-4-6-14(13)20-17/h3-6,11-12H,2,7-10H2,1H3,(H,18,21)(H,19,20)
InChIKeyVBLFLWWLCFJTNI-UHFFFAOYSA-N
MW359.46 g/mol
LogP2.42
Rot. Bonds4

About 2-[1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]piperidin-4-yl]-1H-benzimidazole

2-[1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]piperidin-4-yl]-1H-benzimidazole (PubChem CID 131934260) has the molecular formula C17H21N5O2S and a molecular weight of 359.46 g/mol. Its IUPAC name is 2-[1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]piperidin-4-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]piperidin-4-yl]-1H-benzimidazole
PubChem CID131934260
Molecular FormulaC17H21N5O2S
Molecular Weight359.46 g/mol
Exact Mass359.14
IUPAC Name2-[1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]piperidin-4-yl]-1H-benzimidazole
SMILESCCc1ncc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)[nH]1
InChIInChI=1S/C17H21N5O2S/c1-2-15-18-11-16(21-15)25(23,24)22-9-7-12(8-10-22)17-19-13-5-3-4-6-14(13)20-17/h3-6,11-12H,2,7-10H2,1H3,(H,18,21)(H,19,20)
InChIKeyVBLFLWWLCFJTNI-UHFFFAOYSA-N
XLogP2.42
TPSA94.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.46
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethylsulfonylpiperidin-4-yl)-1H-benzimidazole
CID 4626342
2-[1-(3,4-diethoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
CID 16582851
2-[1-(3,5-dichlorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
CID 18268675
2-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]-1H-benzimidazole
CID 18148631
4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 24685775
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
4-(2-chloroethoxy)-1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]piperidine
CID 82701864
2-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
CID 18575330
5-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonyl-1,3-dimethylbenzimidazol-2-one
CID 172895773
molecular hydrogen;2-[1-(4-phenoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
CID 142409926
2-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-1H-benzimidazole
CID 16582835

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]piperidin-4-yl]-1H-benzimidazole?
The IUPAC name of 2-[1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]piperidin-4-yl]-1H-benzimidazole (CID 131934260) is 2-[1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]piperidin-4-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]piperidin-4-yl]-1H-benzimidazole?
The canonical SMILES for 2-[1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]piperidin-4-yl]-1H-benzimidazole is CCc1ncc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)[nH]1.
What is the InChIKey of 2-[1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]piperidin-4-yl]-1H-benzimidazole?
The InChIKey is VBLFLWWLCFJTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2S/c1-2-15-18-11-16(21-15)25(23,24)22-9-7-12(8-10-22)17-19-13-5-3-4-6-14(13)20-17/h3-6,11-12H,2,7-10H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 2-[1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]piperidin-4-yl]-1H-benzimidazole?
2-[1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]piperidin-4-yl]-1H-benzimidazole has a molecular weight of 359.46 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]piperidin-4-yl]-1H-benzimidazole is sourced from PubChem (CID 131934260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).