2-[[4-(1-methylsulfonylpiperidin-2-yl)piperidin-1-yl]methyl]-1H-benzimidazole

C19H28N4O2S — CID 110252782

IUPAC2-[[4-(1-methylsulfonylpiperidin-2-yl)piperidin-1-yl]methyl]-1H-benzimidazole
SMILESCS(=O)(=O)N1CCCCC1C1CCN(Cc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C19H28N4O2S/c1-26(24,25)23-11-5-4-8-18(23)15-9-12-22(13-10-15)14-19-20-16-6-2-3-7-17(16)21-19/h2-3,6-7,15,18H,4-5,8-14H2,1H3,(H,20,21)
InChIKeyQSFQUFQPNHOTDB-UHFFFAOYSA-N
MW376.53 g/mol
LogP2.59
Rot. Bonds4

About 2-[[4-(1-methylsulfonylpiperidin-2-yl)piperidin-1-yl]methyl]-1H-benzimidazole

2-[[4-(1-methylsulfonylpiperidin-2-yl)piperidin-1-yl]methyl]-1H-benzimidazole (PubChem CID 110252782) has the molecular formula C19H28N4O2S and a molecular weight of 376.53 g/mol. Its IUPAC name is 2-[[4-(1-methylsulfonylpiperidin-2-yl)piperidin-1-yl]methyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[[4-(1-methylsulfonylpiperidin-2-yl)piperidin-1-yl]methyl]-1H-benzimidazole
PubChem CID110252782
Molecular FormulaC19H28N4O2S
Molecular Weight376.53 g/mol
Exact Mass376.19
IUPAC Name2-[[4-(1-methylsulfonylpiperidin-2-yl)piperidin-1-yl]methyl]-1H-benzimidazole
SMILESCS(=O)(=O)N1CCCCC1C1CCN(Cc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C19H28N4O2S/c1-26(24,25)23-11-5-4-8-18(23)15-9-12-22(13-10-15)14-19-20-16-6-2-3-7-17(16)21-19/h2-3,6-7,15,18H,4-5,8-14H2,1H3,(H,20,21)
InChIKeyQSFQUFQPNHOTDB-UHFFFAOYSA-N
XLogP2.59
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(piperidin-1-ylmethyl)-1H-benzimidazole;dihydrochloride
CID 3063303
2-[[(2R,3R)-2,3-dimethyl-4-methylsulfonylpiperazin-1-yl]methyl]-1H-benzimidazole
CID 169421270
2-[(4-ethyl-1,4-diazepan-1-yl)methyl]-1H-benzimidazole
CID 142265346
N-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-2-(methanesulfonamido)benzamide
CID 86777811
(4aR,8aS)-6-(1H-benzimidazol-2-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine;dihydrochloride
CID 154924128
2-[(4-benzylpiperidin-1-yl)methyl]-1H-benzimidazole;methane
CID 142062604
1-(1H-benzimidazol-2-ylmethyl)-4-methylpiperidin-3-ol
CID 104926835
2-(benzotriazol-1-yl)-1-[4-[(2S)-1-methylsulfonylpiperidin-2-yl]piperidin-1-yl]ethanone
CID 92632422
2-[[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]methyl]-1H-benzimidazole
CID 126892606
2-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]-1H-benzimidazole
CID 112770759
2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-1H-benzimidazole
CID 115314474
2-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]-1H-benzimidazole
CID 46981222

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(1-methylsulfonylpiperidin-2-yl)piperidin-1-yl]methyl]-1H-benzimidazole?
The IUPAC name of 2-[[4-(1-methylsulfonylpiperidin-2-yl)piperidin-1-yl]methyl]-1H-benzimidazole (CID 110252782) is 2-[[4-(1-methylsulfonylpiperidin-2-yl)piperidin-1-yl]methyl]-1H-benzimidazole.
What is the SMILES notation for 2-[[4-(1-methylsulfonylpiperidin-2-yl)piperidin-1-yl]methyl]-1H-benzimidazole?
The canonical SMILES for 2-[[4-(1-methylsulfonylpiperidin-2-yl)piperidin-1-yl]methyl]-1H-benzimidazole is CS(=O)(=O)N1CCCCC1C1CCN(Cc2nc3ccccc3[nH]2)CC1.
What is the InChIKey of 2-[[4-(1-methylsulfonylpiperidin-2-yl)piperidin-1-yl]methyl]-1H-benzimidazole?
The InChIKey is QSFQUFQPNHOTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2S/c1-26(24,25)23-11-5-4-8-18(23)15-9-12-22(13-10-15)14-19-20-16-6-2-3-7-17(16)21-19/h2-3,6-7,15,18H,4-5,8-14H2,1H3,(H,20,21).
What are the key properties of 2-[[4-(1-methylsulfonylpiperidin-2-yl)piperidin-1-yl]methyl]-1H-benzimidazole?
2-[[4-(1-methylsulfonylpiperidin-2-yl)piperidin-1-yl]methyl]-1H-benzimidazole has a molecular weight of 376.53 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(1-methylsulfonylpiperidin-2-yl)piperidin-1-yl]methyl]-1H-benzimidazole is sourced from PubChem (CID 110252782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).