3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-1H-benzimidazol-2-one

C17H21N5O3S — CID 47092482

IUPAC3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-1H-benzimidazol-2-one
SMILESCc1nc(S(=O)(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)cn1C
InChIInChI=1S/C17H21N5O3S/c1-12-18-16(11-20(12)2)26(24,25)21-9-7-13(8-10-21)22-15-6-4-3-5-14(15)19-17(22)23/h3-6,11,13H,7-10H2,1-2H3,(H,19,23)
InChIKeyURYPSPZNNWVXHE-UHFFFAOYSA-N
MW375.45 g/mol
LogP1.40
Rot. Bonds3

About 3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-1H-benzimidazol-2-one

3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 47092482) has the molecular formula C17H21N5O3S and a molecular weight of 375.45 g/mol. Its IUPAC name is 3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID47092482
Molecular FormulaC17H21N5O3S
Molecular Weight375.45 g/mol
Exact Mass375.14
IUPAC Name3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-1H-benzimidazol-2-one
SMILESCc1nc(S(=O)(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)cn1C
InChIInChI=1S/C17H21N5O3S/c1-12-18-16(11-20(12)2)26(24,25)21-9-7-13(8-10-21)22-15-6-4-3-5-14(15)19-17(22)23/h3-6,11,13H,7-10H2,1-2H3,(H,19,23)
InChIKeyURYPSPZNNWVXHE-UHFFFAOYSA-N
XLogP1.40
TPSA92.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazol-2-one
CID 55431748
3-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazol-2-one
CID 6735522
3-[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazol-2-one
CID 3812080
4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]sulfonylbenzenesulfonamide
CID 55434574
3-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazol-2-one
CID 3678291
3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;hydrochloride
CID 70537515
3-[1-[(1R,2R)-1,2-dimethylcyclopropyl]sulfonylpiperidin-4-yl]-1H-benzimidazol-2-one
CID 172968605
3-[1-(4-butan-2-ylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazol-2-one
CID 55431722
3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one
CID 171141923
3-[1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidin-4-yl]-1H-benzimidazol-2-one
CID 4285765
4-benzylsulfonyl-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine
CID 121022794
3-[1-(2-phenylethylsulfonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 60531984

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-1H-benzimidazol-2-one (CID 47092482) is 3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-1H-benzimidazol-2-one is Cc1nc(S(=O)(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)cn1C.
What is the InChIKey of 3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is URYPSPZNNWVXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3S/c1-12-18-16(11-20(12)2)26(24,25)21-9-7-13(8-10-21)22-15-6-4-3-5-14(15)19-17(22)23/h3-6,11,13H,7-10H2,1-2H3,(H,19,23).
What are the key properties of 3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 375.45 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 47092482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).