1-[4-[[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfonylmethyl]piperidin-1-yl]ethanone

C24H35N3O3S — CID 46852213

IUPAC1-[4-[[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfonylmethyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(CS(=O)(=O)c2ccc3c(c2)nc(CC(C)(C)C)n3CC2CC2)CC1
InChIInChI=1S/C24H35N3O3S/c1-17(28)26-11-9-19(10-12-26)16-31(29,30)20-7-8-22-21(13-20)25-23(14-24(2,3)4)27(22)15-18-5-6-18/h7-8,13,18-19H,5-6,9-12,14-16H2,1-4H3
InChIKeyNGISWPIKCIOFJD-UHFFFAOYSA-N
MW445.63 g/mol
LogP4.07
Rot. Bonds6

About 1-[4-[[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfonylmethyl]piperidin-1-yl]ethanone

1-[4-[[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfonylmethyl]piperidin-1-yl]ethanone (PubChem CID 46852213) has the molecular formula C24H35N3O3S and a molecular weight of 445.63 g/mol. Its IUPAC name is 1-[4-[[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfonylmethyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfonylmethyl]piperidin-1-yl]ethanone
PubChem CID46852213
Molecular FormulaC24H35N3O3S
Molecular Weight445.63 g/mol
Exact Mass445.24
IUPAC Name1-[4-[[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfonylmethyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(CS(=O)(=O)c2ccc3c(c2)nc(CC(C)(C)C)n3CC2CC2)CC1
InChIInChI=1S/C24H35N3O3S/c1-17(28)26-11-9-19(10-12-26)16-31(29,30)20-7-8-22-21(13-20)25-23(14-24(2,3)4)27(22)15-18-5-6-18/h7-8,13,18-19H,5-6,9-12,14-16H2,1-4H3
InChIKeyNGISWPIKCIOFJD-UHFFFAOYSA-N
XLogP4.07
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.63
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-[[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfonylmethyl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

2-(3-(1-(2-(dimethylamino)ethyl)-2-neopentyl-1H-benzo[d]imidazol-5-ylsulfonyl)azetidin-1-yl)ethanol
CID 46852212
2-{[1-(Cyclopropylmethyl)-2-(2,2-dimethylpropyl)-1H-benzimidazol-5-yl]sulfonyl}-2-methylpropanamide
CID 24750597
2-Tert-butyl-1-(oxan-4-ylmethyl)-5-(4,4,4-trifluorobutylsulfonyl)benzimidazole
CID 44449322
5-Tert-butylsulfonyl-1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazole
CID 56659407
1-{[1-(Cyclopropylmethyl)-2-(2,2-dimethylpropyl)-1h-benzimidazol-5-yl]sulfonyl}cyclopropanecarboxamide
CID 57708174
2-Tert-butyl-1-(cyclohexylmethyl)-5-ethylsulfonylbenzimidazole
CID 44449353
2-Tert-butyl-5-[(2-fluoro-4-pyridinyl)sulfonyl]-1-(2-methylbutyl)benzimidazole
CID 90654968
4-[[1-(Cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfonylmethyl]piperidine-1-carboxamide
CID 118722154
Piperidine, 1-[(1-ethyl-2-methyl-1H-benzimidazol-5-yl)sulfonyl]-
CID 2828846
1-{[1-(Cyclopropylmethyl)-2-(2,2-dimethylpropyl)-1H-benzimidazol-5-yl]sulfonyl}-2-methylpropan-2-ol
CID 11501747
1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-(ethylsulfonyl)-1H-benzimidazole
CID 11580822
1-(Cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-(isopropylsulfonyl)-1H-benzimidazole
CID 11660288

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfonylmethyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfonylmethyl]piperidin-1-yl]ethanone (CID 46852213) is 1-[4-[[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfonylmethyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfonylmethyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfonylmethyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(CS(=O)(=O)c2ccc3c(c2)nc(CC(C)(C)C)n3CC2CC2)CC1.
What is the InChIKey of 1-[4-[[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfonylmethyl]piperidin-1-yl]ethanone?
The InChIKey is NGISWPIKCIOFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O3S/c1-17(28)26-11-9-19(10-12-26)16-31(29,30)20-7-8-22-21(13-20)25-23(14-24(2,3)4)27(22)15-18-5-6-18/h7-8,13,18-19H,5-6,9-12,14-16H2,1-4H3.
What are the key properties of 1-[4-[[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfonylmethyl]piperidin-1-yl]ethanone?
1-[4-[[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfonylmethyl]piperidin-1-yl]ethanone has a molecular weight of 445.63 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfonylmethyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 46852213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).