N-[2-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]methanesulfonamide

C18H22N6O2S — CID 10156977

IUPACN-[2-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccnc1N1CCN(Cc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C18H22N6O2S/c1-27(25,26)22-16-7-4-8-19-18(16)24-11-9-23(10-12-24)13-17-20-14-5-2-3-6-15(14)21-17/h2-8,22H,9-13H2,1H3,(H,20,21)
InChIKeyUZJFFJHTJQGBFA-UHFFFAOYSA-N
MW386.48 g/mol
LogP1.65
Rot. Bonds5

About N-[2-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]methanesulfonamide

N-[2-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]methanesulfonamide (PubChem CID 10156977) has the molecular formula C18H22N6O2S and a molecular weight of 386.48 g/mol. Its IUPAC name is N-[2-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]methanesulfonamide
PubChem CID10156977
Molecular FormulaC18H22N6O2S
Molecular Weight386.48 g/mol
Exact Mass386.15
IUPAC NameN-[2-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccnc1N1CCN(Cc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C18H22N6O2S/c1-27(25,26)22-16-7-4-8-19-18(16)24-11-9-23(10-12-24)13-17-20-14-5-2-3-6-15(14)21-17/h2-8,22H,9-13H2,1H3,(H,20,21)
InChIKeyUZJFFJHTJQGBFA-UHFFFAOYSA-N
XLogP1.65
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-2-(methanesulfonamido)benzamide
CID 86777811
2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1H-benzimidazole
CID 11289781
2-[[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-1H-benzimidazole
CID 75438688
2-[(4-pyridin-3-ylpiperazin-1-yl)methyl]-1H-benzimidazole
CID 11300847
(Z)-but-2-enedioic acid;2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-benzimidazole
CID 69199029
4-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine;hydrochloride
CID 2971877
2-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-1H-benzimidazole
CID 11738728
2-[(4-ethyl-1,4-diazepan-1-yl)methyl]-1H-benzimidazole
CID 142265346
2-[[4-(5-bromo-3-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-1H-benzimidazole
CID 166601916
2-(piperidin-1-ylmethyl)-1H-benzimidazole;dihydrochloride
CID 3063303
1-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]ethanone;oxalic acid
CID 121074357
5-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-3-ethyl-1,2,4-thiadiazole
CID 133423864

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-[2-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]methanesulfonamide (CID 10156977) is N-[2-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[2-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[2-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]methanesulfonamide is CS(=O)(=O)Nc1cccnc1N1CCN(Cc2nc3ccccc3[nH]2)CC1.
What is the InChIKey of N-[2-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]methanesulfonamide?
The InChIKey is UZJFFJHTJQGBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2S/c1-27(25,26)22-16-7-4-8-19-18(16)24-11-9-23(10-12-24)13-17-20-14-5-2-3-6-15(14)21-17/h2-8,22H,9-13H2,1H3,(H,20,21).
What are the key properties of N-[2-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]methanesulfonamide?
N-[2-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]methanesulfonamide has a molecular weight of 386.48 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 10156977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).