4-methyl-N-[2-(piperidin-1-ylmethyl)-3H-benzimidazol-5-yl]benzenesulfonamide

C20H24N4O2S — CID 169371979

IUPAC4-methyl-N-[2-(piperidin-1-ylmethyl)-3H-benzimidazol-5-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3nc(CN4CCCCC4)[nH]c3c2)cc1
InChIInChI=1S/C20H24N4O2S/c1-15-5-8-17(9-6-15)27(25,26)23-16-7-10-18-19(13-16)22-20(21-18)14-24-11-3-2-4-12-24/h5-10,13,23H,2-4,11-12,14H2,1H3,(H,21,22)
InChIKeyAQFTZHBUJRXSMK-UHFFFAOYSA-N
MW384.51 g/mol
LogP3.66
Rot. Bonds5

About 4-methyl-N-[2-(piperidin-1-ylmethyl)-3H-benzimidazol-5-yl]benzenesulfonamide

4-methyl-N-[2-(piperidin-1-ylmethyl)-3H-benzimidazol-5-yl]benzenesulfonamide (PubChem CID 169371979) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is 4-methyl-N-[2-(piperidin-1-ylmethyl)-3H-benzimidazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[2-(piperidin-1-ylmethyl)-3H-benzimidazol-5-yl]benzenesulfonamide
PubChem CID169371979
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC Name4-methyl-N-[2-(piperidin-1-ylmethyl)-3H-benzimidazol-5-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3nc(CN4CCCCC4)[nH]c3c2)cc1
InChIInChI=1S/C20H24N4O2S/c1-15-5-8-17(9-6-15)27(25,26)23-16-7-10-18-19(13-16)22-20(21-18)14-24-11-3-2-4-12-24/h5-10,13,23H,2-4,11-12,14H2,1H3,(H,21,22)
InChIKeyAQFTZHBUJRXSMK-UHFFFAOYSA-N
XLogP3.66
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide
CID 1119769
4-methyl-N-[3-(piperidin-1-ylmethyl)phenyl]benzenesulfonamide
CID 169370271
4-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperazine-1-sulfonamide
CID 171910596
4-methyl-N-(2-pyridin-4-yl-3H-benzimidazol-5-yl)benzenesulfonamide
CID 4192275
2-(1,4-diazepan-1-ylmethyl)-6-methylsulfonyl-1H-benzimidazole
CID 62823587
2-(piperidin-1-ylmethyl)-6-pyrrolidin-1-yl-1H-benzimidazole
CID 168514262
6-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]-1H-benzimidazol-2-amine
CID 110377051
4-ethoxy-N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide
CID 20972147
N-[2-(4-methoxyanilino)-3-oxo-4H-quinoxalin-6-yl]-4-methylbenzenesulfonamide
CID 155805211
6-isocyanato-2-(piperidin-1-ylmethyl)-1H-benzimidazole
CID 169354322
N-[2-[(4-methylpiperazin-1-yl)methyl]-3H-benzimidazol-5-yl]cyclopropanecarboxamide
CID 166197291
2-(piperidin-1-ylmethyl)-1H-benzimidazole;dihydrochloride
CID 3063303

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(piperidin-1-ylmethyl)-3H-benzimidazol-5-yl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[2-(piperidin-1-ylmethyl)-3H-benzimidazol-5-yl]benzenesulfonamide (CID 169371979) is 4-methyl-N-[2-(piperidin-1-ylmethyl)-3H-benzimidazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[2-(piperidin-1-ylmethyl)-3H-benzimidazol-5-yl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[2-(piperidin-1-ylmethyl)-3H-benzimidazol-5-yl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc3nc(CN4CCCCC4)[nH]c3c2)cc1.
What is the InChIKey of 4-methyl-N-[2-(piperidin-1-ylmethyl)-3H-benzimidazol-5-yl]benzenesulfonamide?
The InChIKey is AQFTZHBUJRXSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S/c1-15-5-8-17(9-6-15)27(25,26)23-16-7-10-18-19(13-16)22-20(21-18)14-24-11-3-2-4-12-24/h5-10,13,23H,2-4,11-12,14H2,1H3,(H,21,22).
What are the key properties of 4-methyl-N-[2-(piperidin-1-ylmethyl)-3H-benzimidazol-5-yl]benzenesulfonamide?
4-methyl-N-[2-(piperidin-1-ylmethyl)-3H-benzimidazol-5-yl]benzenesulfonamide has a molecular weight of 384.51 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(piperidin-1-ylmethyl)-3H-benzimidazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 169371979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).