[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylsulfonylcyclopentyl)methanone

C19H25N3O3S — CID 128708203

IUPAC[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylsulfonylcyclopentyl)methanone
SMILESCS(=O)(=O)C1(C(=O)N2CCCCC2c2nc3ccccc3[nH]2)CCCC1
InChIInChI=1S/C19H25N3O3S/c1-26(24,25)19(11-5-6-12-19)18(23)22-13-7-4-10-16(22)17-20-14-8-2-3-9-15(14)21-17/h2-3,8-9,16H,4-7,10-13H2,1H3,(H,20,21)
InChIKeyODAVLDSICHYGKX-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.97
Rot. Bonds3

About [2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylsulfonylcyclopentyl)methanone

[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylsulfonylcyclopentyl)methanone (PubChem CID 128708203) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is [2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylsulfonylcyclopentyl)methanone.

Molecular Properties

Compound Name[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylsulfonylcyclopentyl)methanone
PubChem CID128708203
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylsulfonylcyclopentyl)methanone
SMILESCS(=O)(=O)C1(C(=O)N2CCCCC2c2nc3ccccc3[nH]2)CCCC1
InChIInChI=1S/C19H25N3O3S/c1-26(24,25)19(11-5-6-12-19)18(23)22-13-7-4-10-16(22)17-20-14-8-2-3-9-15(14)21-17/h2-3,8-9,16H,4-7,10-13H2,1H3,(H,20,21)
InChIKeyODAVLDSICHYGKX-UHFFFAOYSA-N
XLogP2.97
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 43841790
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
4-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]benzoic acid
CID 25346217
[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(oxolan-2-yl)methanone
CID 126469939
[(2R)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 124986227
[4-(azepan-1-ylsulfonyl)phenyl]-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 55453578
[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-tert-butylphenyl)methanone
CID 25388696
[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone
CID 97149553
[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 99994993
[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(2-methyl-5-methylsulfonylphenyl)methanone
CID 51270047
[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 51331975

Frequently Asked Questions

What is the IUPAC name of [2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylsulfonylcyclopentyl)methanone?
The IUPAC name of [2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylsulfonylcyclopentyl)methanone (CID 128708203) is [2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylsulfonylcyclopentyl)methanone.
What is the SMILES notation for [2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylsulfonylcyclopentyl)methanone?
The canonical SMILES for [2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylsulfonylcyclopentyl)methanone is CS(=O)(=O)C1(C(=O)N2CCCCC2c2nc3ccccc3[nH]2)CCCC1.
What is the InChIKey of [2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylsulfonylcyclopentyl)methanone?
The InChIKey is ODAVLDSICHYGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-26(24,25)19(11-5-6-12-19)18(23)22-13-7-4-10-16(22)17-20-14-8-2-3-9-15(14)21-17/h2-3,8-9,16H,4-7,10-13H2,1H3,(H,20,21).
What are the key properties of [2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylsulfonylcyclopentyl)methanone?
[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylsulfonylcyclopentyl)methanone has a molecular weight of 375.49 g/mol, XLogP of 2.97, 3 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)piperidin-1-yl]-(1-methylsulfonylcyclopentyl)methanone is sourced from PubChem (CID 128708203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).