2-[[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]methyl]-1H-benzimidazole

C19H28N4O2S — CID 46980652

IUPAC2-[[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]methyl]-1H-benzimidazole
SMILESCC1CCN(S(=O)(=O)N2CCCC(Cc3nc4ccccc4[nH]3)C2)CC1
InChIInChI=1S/C19H28N4O2S/c1-15-8-11-22(12-9-15)26(24,25)23-10-4-5-16(14-23)13-19-20-17-6-2-3-7-18(17)21-19/h2-3,6-7,15-16H,4-5,8-14H2,1H3,(H,20,21)
InChIKeyKOCSXEHMGKNMBB-UHFFFAOYSA-N
MW376.53 g/mol
LogP2.79
Rot. Bonds4

About 2-[[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]methyl]-1H-benzimidazole

2-[[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]methyl]-1H-benzimidazole (PubChem CID 46980652) has the molecular formula C19H28N4O2S and a molecular weight of 376.53 g/mol. Its IUPAC name is 2-[[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]methyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]methyl]-1H-benzimidazole
PubChem CID46980652
Molecular FormulaC19H28N4O2S
Molecular Weight376.53 g/mol
Exact Mass376.19
IUPAC Name2-[[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]methyl]-1H-benzimidazole
SMILESCC1CCN(S(=O)(=O)N2CCCC(Cc3nc4ccccc4[nH]3)C2)CC1
InChIInChI=1S/C19H28N4O2S/c1-15-8-11-22(12-9-15)26(24,25)23-10-4-5-16(14-23)13-19-20-17-6-2-3-7-18(17)21-19/h2-3,6-7,15-16H,4-5,8-14H2,1H3,(H,20,21)
InChIKeyKOCSXEHMGKNMBB-UHFFFAOYSA-N
XLogP2.79
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]methyl]-1H-benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]-1H-benzimidazole
CID 46981222
(3R)-N-(1H-benzimidazol-2-ylmethyl)-N,3-dimethylpiperidine-1-sulfonamide
CID 35385286
2-(1H-benzimidazol-2-yl)-1-[(4S)-4-methylazepan-1-yl]ethanone
CID 126432563
2-[[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methyl]-1H-benzimidazole
CID 72917014
2-[[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]methyl]-1H-benzimidazole
CID 97453733
2-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]-1H-benzimidazole
CID 18148631
N-[2-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxamide
CID 50784266
ethyl (3S)-1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylpiperidine-3-carboxylate
CID 25330284
1-[3-[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidine-1-carbonyl]phenyl]ethanone
CID 97126619
5-[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-1-methyl-1,2,4-triazole-3-carboxylic acid
CID 146041840
2-[[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]-1-methylbenzimidazole
CID 93242524
[(3R)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(oxan-4-yl)methanone
CID 96580580

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]methyl]-1H-benzimidazole?
The IUPAC name of 2-[[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]methyl]-1H-benzimidazole (CID 46980652) is 2-[[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]methyl]-1H-benzimidazole.
What is the SMILES notation for 2-[[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]methyl]-1H-benzimidazole?
The canonical SMILES for 2-[[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]methyl]-1H-benzimidazole is CC1CCN(S(=O)(=O)N2CCCC(Cc3nc4ccccc4[nH]3)C2)CC1.
What is the InChIKey of 2-[[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]methyl]-1H-benzimidazole?
The InChIKey is KOCSXEHMGKNMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2S/c1-15-8-11-22(12-9-15)26(24,25)23-10-4-5-16(14-23)13-19-20-17-6-2-3-7-18(17)21-19/h2-3,6-7,15-16H,4-5,8-14H2,1H3,(H,20,21).
What are the key properties of 2-[[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]methyl]-1H-benzimidazole?
2-[[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]methyl]-1H-benzimidazole has a molecular weight of 376.53 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]methyl]-1H-benzimidazole is sourced from PubChem (CID 46980652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).