1-ethyl-2-[1-(2-ethylsulfonylethyl)pyrrolidin-2-yl]benzimidazole

C17H25N3O2S — CID 71974480

IUPAC1-ethyl-2-[1-(2-ethylsulfonylethyl)pyrrolidin-2-yl]benzimidazole
SMILESCCn1c(C2CCCN2CCS(=O)(=O)CC)nc2ccccc21
InChIInChI=1S/C17H25N3O2S/c1-3-20-15-9-6-5-8-14(15)18-17(20)16-10-7-11-19(16)12-13-23(21,22)4-2/h5-6,8-9,16H,3-4,7,10-13H2,1-2H3
InChIKeyDKCBLFWVVWXAIA-UHFFFAOYSA-N
MW335.47 g/mol
LogP2.63
Rot. Bonds6

About 1-ethyl-2-[1-(2-ethylsulfonylethyl)pyrrolidin-2-yl]benzimidazole

1-ethyl-2-[1-(2-ethylsulfonylethyl)pyrrolidin-2-yl]benzimidazole (PubChem CID 71974480) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is 1-ethyl-2-[1-(2-ethylsulfonylethyl)pyrrolidin-2-yl]benzimidazole.

Molecular Properties

Compound Name1-ethyl-2-[1-(2-ethylsulfonylethyl)pyrrolidin-2-yl]benzimidazole
PubChem CID71974480
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC Name1-ethyl-2-[1-(2-ethylsulfonylethyl)pyrrolidin-2-yl]benzimidazole
SMILESCCn1c(C2CCCN2CCS(=O)(=O)CC)nc2ccccc21
InChIInChI=1S/C17H25N3O2S/c1-3-20-15-9-6-5-8-14(15)18-17(20)16-10-7-11-19(16)12-13-23(21,22)4-2/h5-6,8-9,16H,3-4,7,10-13H2,1-2H3
InChIKeyDKCBLFWVVWXAIA-UHFFFAOYSA-N
XLogP2.63
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-2-[1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]benzimidazole
CID 71859415
(2R)-1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]butan-2-ol
CID 111970121
2-[[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
CID 71974479
1-ethyl-2-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]benzimidazole
CID 97013821
1-methyl-2-[1-[3-[2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]propyl]pyrrolidin-2-yl]benzimidazole
CID 167934115
3-amino-1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]butan-1-one;dihydrochloride
CID 119872639
2-cyclopentyloxy-1-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 95286829
1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone
CID 119872644
4-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidine-1-carbonyl]benzonitrile
CID 95278101
[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 52851870
[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone
CID 124592970
2-(cyclopropylmethylamino)-1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]ethanone;dihydrochloride
CID 119872625

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[1-(2-ethylsulfonylethyl)pyrrolidin-2-yl]benzimidazole?
The IUPAC name of 1-ethyl-2-[1-(2-ethylsulfonylethyl)pyrrolidin-2-yl]benzimidazole (CID 71974480) is 1-ethyl-2-[1-(2-ethylsulfonylethyl)pyrrolidin-2-yl]benzimidazole.
What is the SMILES notation for 1-ethyl-2-[1-(2-ethylsulfonylethyl)pyrrolidin-2-yl]benzimidazole?
The canonical SMILES for 1-ethyl-2-[1-(2-ethylsulfonylethyl)pyrrolidin-2-yl]benzimidazole is CCn1c(C2CCCN2CCS(=O)(=O)CC)nc2ccccc21.
What is the InChIKey of 1-ethyl-2-[1-(2-ethylsulfonylethyl)pyrrolidin-2-yl]benzimidazole?
The InChIKey is DKCBLFWVVWXAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-3-20-15-9-6-5-8-14(15)18-17(20)16-10-7-11-19(16)12-13-23(21,22)4-2/h5-6,8-9,16H,3-4,7,10-13H2,1-2H3.
What are the key properties of 1-ethyl-2-[1-(2-ethylsulfonylethyl)pyrrolidin-2-yl]benzimidazole?
1-ethyl-2-[1-(2-ethylsulfonylethyl)pyrrolidin-2-yl]benzimidazole has a molecular weight of 335.47 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[1-(2-ethylsulfonylethyl)pyrrolidin-2-yl]benzimidazole is sourced from PubChem (CID 71974480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).