2-(2,2-dimethylpropyl)-5-ethylsulfonyl-1-(oxolan-2-ylmethyl)benzimidazole

C19H28N2O3S — CID 11674994

IUPAC2-(2,2-dimethylpropyl)-5-ethylsulfonyl-1-(oxolan-2-ylmethyl)benzimidazole
SMILESCCS(=O)(=O)c1ccc2c(c1)nc(CC(C)(C)C)n2CC1CCCO1
InChIInChI=1S/C19H28N2O3S/c1-5-25(22,23)15-8-9-17-16(11-15)20-18(12-19(2,3)4)21(17)13-14-7-6-10-24-14/h8-9,11,14H,5-7,10,12-13H2,1-4H3
InChIKeyUIPBFUGGCHEKJP-UHFFFAOYSA-N
MW364.51 g/mol
LogP3.60
Rot. Bonds5

About 2-(2,2-dimethylpropyl)-5-ethylsulfonyl-1-(oxolan-2-ylmethyl)benzimidazole

2-(2,2-dimethylpropyl)-5-ethylsulfonyl-1-(oxolan-2-ylmethyl)benzimidazole (PubChem CID 11674994) has the molecular formula C19H28N2O3S and a molecular weight of 364.51 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-5-ethylsulfonyl-1-(oxolan-2-ylmethyl)benzimidazole.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-5-ethylsulfonyl-1-(oxolan-2-ylmethyl)benzimidazole
PubChem CID11674994
Molecular FormulaC19H28N2O3S
Molecular Weight364.51 g/mol
Exact Mass364.18
IUPAC Name2-(2,2-dimethylpropyl)-5-ethylsulfonyl-1-(oxolan-2-ylmethyl)benzimidazole
SMILESCCS(=O)(=O)c1ccc2c(c1)nc(CC(C)(C)C)n2CC1CCCO1
InChIInChI=1S/C19H28N2O3S/c1-5-25(22,23)15-8-9-17-16(11-15)20-18(12-19(2,3)4)21(17)13-14-7-6-10-24-14/h8-9,11,14H,5-7,10,12-13H2,1-4H3
InChIKeyUIPBFUGGCHEKJP-UHFFFAOYSA-N
XLogP3.60
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-(2,2-dimethylpropyl)-5-ethylsulfonylbenzimidazol-1-yl]methyl]piperidine-1-carbaldehyde
CID 59192473
N,N-diethyl-1-[[(2S)-oxolan-2-yl]methyl]-2-[(2,4,5-trifluorophenyl)methylsulfanyl]benzimidazole-5-sulfonamide
CID 92818786
4-[2-(4-tert-butylphenyl)-1-(oxolan-2-ylmethyl)benzimidazol-5-yl]sulfonylmorpholine
CID 112769852
2-tert-butyl-5-[(2-fluoro-4-pyridinyl)sulfonyl]-1-(oxan-2-ylmethyl)benzimidazole
CID 118945865
N-methyl-1-[1-(oxolan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]methanamine
CID 46310132
1-(oxolan-2-ylmethyl)-2-[2-(propanoylamino)ethyl]benzimidazole-5-carboxylic acid
CID 42817394
methyl 2-(chloromethyl)-1-[[(2S)-oxolan-2-yl]methyl]benzimidazole-5-carboxylate
CID 175589218
N,N-diethyl-1-(oxolan-2-ylmethyl)-2-[(2,4,6-trimethylphenyl)methylsulfanyl]benzimidazole-5-sulfonamide
CID 46098001
[2-(2,2-dimethylpropyl)-1-(oxan-4-ylmethyl)benzimidazol-5-yl]sulfonyl 2-methylpropanoate
CID 87607486
N,N-diethyl-1-[[(2R)-oxolan-2-yl]methyl]-2-[(2,3,4,5-tetrafluorophenyl)methylsulfanyl]benzimidazole-5-sulfonamide
CID 98394549
N,N-diethyl-1-[[(2R)-oxolan-2-yl]methyl]-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]benzimidazole-5-sulfonamide
CID 92818845
1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-[(1-methylsulfonylpiperidin-4-yl)methylsulfonyl]benzimidazole;1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-(piperidin-4-ylmethylsulfonyl)benzimidazole
CID 161447721

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-5-ethylsulfonyl-1-(oxolan-2-ylmethyl)benzimidazole?
The IUPAC name of 2-(2,2-dimethylpropyl)-5-ethylsulfonyl-1-(oxolan-2-ylmethyl)benzimidazole (CID 11674994) is 2-(2,2-dimethylpropyl)-5-ethylsulfonyl-1-(oxolan-2-ylmethyl)benzimidazole.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-5-ethylsulfonyl-1-(oxolan-2-ylmethyl)benzimidazole?
The canonical SMILES for 2-(2,2-dimethylpropyl)-5-ethylsulfonyl-1-(oxolan-2-ylmethyl)benzimidazole is CCS(=O)(=O)c1ccc2c(c1)nc(CC(C)(C)C)n2CC1CCCO1.
What is the InChIKey of 2-(2,2-dimethylpropyl)-5-ethylsulfonyl-1-(oxolan-2-ylmethyl)benzimidazole?
The InChIKey is UIPBFUGGCHEKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3S/c1-5-25(22,23)15-8-9-17-16(11-15)20-18(12-19(2,3)4)21(17)13-14-7-6-10-24-14/h8-9,11,14H,5-7,10,12-13H2,1-4H3.
What are the key properties of 2-(2,2-dimethylpropyl)-5-ethylsulfonyl-1-(oxolan-2-ylmethyl)benzimidazole?
2-(2,2-dimethylpropyl)-5-ethylsulfonyl-1-(oxolan-2-ylmethyl)benzimidazole has a molecular weight of 364.51 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-5-ethylsulfonyl-1-(oxolan-2-ylmethyl)benzimidazole is sourced from PubChem (CID 11674994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).