2-[1-[2-(benzenesulfonyl)ethyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole

C19H25N3O2S — CID 128983514

IUPAC2-[1-[2-(benzenesulfonyl)ethyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
SMILESO=S(=O)(CCN1CCCC1c1nc2c([nH]1)CCCC2)c1ccccc1
InChIInChI=1S/C19H25N3O2S/c23-25(24,15-7-2-1-3-8-15)14-13-22-12-6-11-18(22)19-20-16-9-4-5-10-17(16)21-19/h1-3,7-8,18H,4-6,9-14H2,(H,20,21)
InChIKeyXRGZCQQMVKTSHM-UHFFFAOYSA-N
MW359.50 g/mol
LogP2.90
Rot. Bonds5

About 2-[1-[2-(benzenesulfonyl)ethyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole

2-[1-[2-(benzenesulfonyl)ethyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole (PubChem CID 128983514) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is 2-[1-[2-(benzenesulfonyl)ethyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole.

Molecular Properties

Compound Name2-[1-[2-(benzenesulfonyl)ethyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
PubChem CID128983514
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Name2-[1-[2-(benzenesulfonyl)ethyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
SMILESO=S(=O)(CCN1CCCC1c1nc2c([nH]1)CCCC2)c1ccccc1
InChIInChI=1S/C19H25N3O2S/c23-25(24,15-7-2-1-3-8-15)14-13-22-12-6-11-18(22)19-20-16-9-4-5-10-17(16)21-19/h1-3,7-8,18H,4-6,9-14H2,(H,20,21)
InChIKeyXRGZCQQMVKTSHM-UHFFFAOYSA-N
XLogP2.90
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propane-1-sulfonamide
CID 129339520
2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 128979700
2-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 129473203
2-[1-(3-imidazol-1-ylpropyl)pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 128983552
3-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one
CID 128967624
1-(2,3-dihydroindol-1-yl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 128983493
3-[[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one
CID 129473497
2-[(2R)-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 129351469
4-[1-[2-(benzenesulfonyl)ethyl]pyrrolidin-2-yl]-1,3,5-trimethylpyrazole
CID 56780686
2-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 129339719
1-morpholin-4-yl-3-[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 129336669
2-[(2S)-1-[[4-[(S)-methylsulfinyl]phenyl]methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 129342670

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(benzenesulfonyl)ethyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole?
The IUPAC name of 2-[1-[2-(benzenesulfonyl)ethyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole (CID 128983514) is 2-[1-[2-(benzenesulfonyl)ethyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole.
What is the SMILES notation for 2-[1-[2-(benzenesulfonyl)ethyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole?
The canonical SMILES for 2-[1-[2-(benzenesulfonyl)ethyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole is O=S(=O)(CCN1CCCC1c1nc2c([nH]1)CCCC2)c1ccccc1.
What is the InChIKey of 2-[1-[2-(benzenesulfonyl)ethyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole?
The InChIKey is XRGZCQQMVKTSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c23-25(24,15-7-2-1-3-8-15)14-13-22-12-6-11-18(22)19-20-16-9-4-5-10-17(16)21-19/h1-3,7-8,18H,4-6,9-14H2,(H,20,21).
What are the key properties of 2-[1-[2-(benzenesulfonyl)ethyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole?
2-[1-[2-(benzenesulfonyl)ethyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole has a molecular weight of 359.50 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(benzenesulfonyl)ethyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole is sourced from PubChem (CID 128983514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).