2-[[4-(3-methylsulfonyl-2-pyridinyl)piperazin-1-yl]methyl]-1H-benzimidazole

C18H21N5O2S — CID 11474209

IUPAC2-[[4-(3-methylsulfonyl-2-pyridinyl)piperazin-1-yl]methyl]-1H-benzimidazole
SMILESCS(=O)(=O)c1cccnc1N1CCN(Cc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C18H21N5O2S/c1-26(24,25)16-7-4-8-19-18(16)23-11-9-22(10-12-23)13-17-20-14-5-2-3-6-15(14)21-17/h2-8H,9-13H2,1H3,(H,20,21)
InChIKeySNOXLWBVRXKZCJ-UHFFFAOYSA-N
MW371.47 g/mol
LogP1.68
Rot. Bonds4

About 2-[[4-(3-methylsulfonyl-2-pyridinyl)piperazin-1-yl]methyl]-1H-benzimidazole

2-[[4-(3-methylsulfonyl-2-pyridinyl)piperazin-1-yl]methyl]-1H-benzimidazole (PubChem CID 11474209) has the molecular formula C18H21N5O2S and a molecular weight of 371.47 g/mol. Its IUPAC name is 2-[[4-(3-methylsulfonyl-2-pyridinyl)piperazin-1-yl]methyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[[4-(3-methylsulfonyl-2-pyridinyl)piperazin-1-yl]methyl]-1H-benzimidazole
PubChem CID11474209
Molecular FormulaC18H21N5O2S
Molecular Weight371.47 g/mol
Exact Mass371.14
IUPAC Name2-[[4-(3-methylsulfonyl-2-pyridinyl)piperazin-1-yl]methyl]-1H-benzimidazole
SMILESCS(=O)(=O)c1cccnc1N1CCN(Cc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C18H21N5O2S/c1-26(24,25)16-7-4-8-19-18(16)23-11-9-22(10-12-23)13-17-20-14-5-2-3-6-15(14)21-17/h2-8H,9-13H2,1H3,(H,20,21)
InChIKeySNOXLWBVRXKZCJ-UHFFFAOYSA-N
XLogP1.68
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3-methylsulfonyl-2-pyridinyl)piperazin-1-yl]methyl]-1H-benzimidazole?
The IUPAC name of 2-[[4-(3-methylsulfonyl-2-pyridinyl)piperazin-1-yl]methyl]-1H-benzimidazole (CID 11474209) is 2-[[4-(3-methylsulfonyl-2-pyridinyl)piperazin-1-yl]methyl]-1H-benzimidazole.
What is the SMILES notation for 2-[[4-(3-methylsulfonyl-2-pyridinyl)piperazin-1-yl]methyl]-1H-benzimidazole?
The canonical SMILES for 2-[[4-(3-methylsulfonyl-2-pyridinyl)piperazin-1-yl]methyl]-1H-benzimidazole is CS(=O)(=O)c1cccnc1N1CCN(Cc2nc3ccccc3[nH]2)CC1.
What is the InChIKey of 2-[[4-(3-methylsulfonyl-2-pyridinyl)piperazin-1-yl]methyl]-1H-benzimidazole?
The InChIKey is SNOXLWBVRXKZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2S/c1-26(24,25)16-7-4-8-19-18(16)23-11-9-22(10-12-23)13-17-20-14-5-2-3-6-15(14)21-17/h2-8H,9-13H2,1H3,(H,20,21).
What are the key properties of 2-[[4-(3-methylsulfonyl-2-pyridinyl)piperazin-1-yl]methyl]-1H-benzimidazole?
2-[[4-(3-methylsulfonyl-2-pyridinyl)piperazin-1-yl]methyl]-1H-benzimidazole has a molecular weight of 371.47 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3-methylsulfonyl-2-pyridinyl)piperazin-1-yl]methyl]-1H-benzimidazole is sourced from PubChem (CID 11474209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).