[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]methanone

C26H30N4O3S — CID 42923469

IUPAC[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)N1CCCC1c1nc2ccccc2[nH]1
InChIInChI=1S/C26H30N4O3S/c31-26(30-14-4-9-24(30)25-27-22-7-1-2-8-23(22)28-25)19-12-15-29(16-13-19)34(32,33)21-11-10-18-5-3-6-20(18)17-21/h1-2,7-8,10-11,17,19,24H,3-6,9,12-16H2,(H,27,28)
InChIKeyRJANBODNVAEYPH-UHFFFAOYSA-N
MW478.62 g/mol
LogP3.82
Rot. Bonds4

About [2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]methanone

[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]methanone (PubChem CID 42923469) has the molecular formula C26H30N4O3S and a molecular weight of 478.62 g/mol. Its IUPAC name is [2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]methanone
PubChem CID42923469
Molecular FormulaC26H30N4O3S
Molecular Weight478.62 g/mol
Exact Mass478.20
IUPAC Name[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)N1CCCC1c1nc2ccccc2[nH]1
InChIInChI=1S/C26H30N4O3S/c31-26(30-14-4-9-24(30)25-27-22-7-1-2-8-23(22)28-25)19-12-15-29(16-13-19)34(32,33)21-11-10-18-5-3-6-20(18)17-21/h1-2,7-8,10-11,17,19,24H,3-6,9,12-16H2,(H,27,28)
InChIKeyRJANBODNVAEYPH-UHFFFAOYSA-N
XLogP3.82
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.62
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(azepan-1-ylsulfonyl)phenyl]-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 55453578
[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 17407991
1-[4-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]-2-phenylethanone
CID 95807216
azepan-1-yl-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]methanone
CID 30855869
1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 43841790
[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]methanone
CID 55687204
[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 37333249
4-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 110205528
1-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 95807203
[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(2-methyl-5-methylsulfonylphenyl)methanone
CID 51270047
[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methanone
CID 99849761
6-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 18133809

Frequently Asked Questions

What is the IUPAC name of [2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]methanone?
The IUPAC name of [2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]methanone (CID 42923469) is [2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]methanone.
What is the SMILES notation for [2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]methanone?
The canonical SMILES for [2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]methanone is O=C(C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)N1CCCC1c1nc2ccccc2[nH]1.
What is the InChIKey of [2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]methanone?
The InChIKey is RJANBODNVAEYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3S/c31-26(30-14-4-9-24(30)25-27-22-7-1-2-8-23(22)28-25)19-12-15-29(16-13-19)34(32,33)21-11-10-18-5-3-6-20(18)17-21/h1-2,7-8,10-11,17,19,24H,3-6,9,12-16H2,(H,27,28).
What are the key properties of [2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]methanone?
[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]methanone has a molecular weight of 478.62 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]methanone is sourced from PubChem (CID 42923469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).