1-[[1-(2-methylsulfonylethyl)benzimidazol-2-yl]methyl]benzotriazole

C17H17N5O2S — CID 5272017

IUPAC1-[[1-(2-methylsulfonylethyl)benzimidazol-2-yl]methyl]benzotriazole
SMILESCS(=O)(=O)CCn1c(Cn2nnc3ccccc32)nc2ccccc21
InChIInChI=1S/C17H17N5O2S/c1-25(23,24)11-10-21-15-8-4-2-6-13(15)18-17(21)12-22-16-9-5-3-7-14(16)19-20-22/h2-9H,10-12H2,1H3
InChIKeyOFSKGFJEDFZSSW-UHFFFAOYSA-N
MW355.42 g/mol
LogP1.87
Rot. Bonds5

About 1-[[1-(2-methylsulfonylethyl)benzimidazol-2-yl]methyl]benzotriazole

1-[[1-(2-methylsulfonylethyl)benzimidazol-2-yl]methyl]benzotriazole (PubChem CID 5272017) has the molecular formula C17H17N5O2S and a molecular weight of 355.42 g/mol. Its IUPAC name is 1-[[1-(2-methylsulfonylethyl)benzimidazol-2-yl]methyl]benzotriazole.

Molecular Properties

Compound Name1-[[1-(2-methylsulfonylethyl)benzimidazol-2-yl]methyl]benzotriazole
PubChem CID5272017
Molecular FormulaC17H17N5O2S
Molecular Weight355.42 g/mol
Exact Mass355.11
IUPAC Name1-[[1-(2-methylsulfonylethyl)benzimidazol-2-yl]methyl]benzotriazole
SMILESCS(=O)(=O)CCn1c(Cn2nnc3ccccc32)nc2ccccc21
InChIInChI=1S/C17H17N5O2S/c1-25(23,24)11-10-21-15-8-4-2-6-13(15)18-17(21)12-22-16-9-5-3-7-14(16)19-20-22/h2-9H,10-12H2,1H3
InChIKeyOFSKGFJEDFZSSW-UHFFFAOYSA-N
XLogP1.87
TPSA82.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-iodo-1-[[1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]indazole
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2-[2-(benzotriazol-1-ylmethyl)-5,6-dimethylbenzimidazol-1-yl]-N,N-dimethylethanamine
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2-[2-(benzotriazol-1-ylmethyl)-5-nitrobenzimidazol-1-yl]ethyl-trimethylazanium
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2-[3-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]propanimidoyl-(carboxymethyl)amino]acetic acid
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2-methyl-1-(3-methylsulfonylpropyl)benzimidazole
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1-(2-tert-butylsulfonylethyl)-2-ethylbenzimidazole
CID 103710309
2-[1-(2-ethylsulfonylethyl)benzimidazol-2-yl]ethanethioamide
CID 63636716
3-[2-(benzotriazol-1-ylmethyl)-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-diethylpropan-1-amine
CID 6481608
1-(3-ethylsulfanylpropyl)-2-(methylsulfonylmethyl)benzimidazole
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N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylsulfonylethanamine
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4-chloro-2-[[1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-5-morpholin-4-ylpyridazin-3-one
CID 23517104
2-[[4-(2-methylsulfonylethyl)piperazin-1-yl]methyl]-1-propan-2-ylbenzimidazole
CID 77090480

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-methylsulfonylethyl)benzimidazol-2-yl]methyl]benzotriazole?
The IUPAC name of 1-[[1-(2-methylsulfonylethyl)benzimidazol-2-yl]methyl]benzotriazole (CID 5272017) is 1-[[1-(2-methylsulfonylethyl)benzimidazol-2-yl]methyl]benzotriazole.
What is the SMILES notation for 1-[[1-(2-methylsulfonylethyl)benzimidazol-2-yl]methyl]benzotriazole?
The canonical SMILES for 1-[[1-(2-methylsulfonylethyl)benzimidazol-2-yl]methyl]benzotriazole is CS(=O)(=O)CCn1c(Cn2nnc3ccccc32)nc2ccccc21.
What is the InChIKey of 1-[[1-(2-methylsulfonylethyl)benzimidazol-2-yl]methyl]benzotriazole?
The InChIKey is OFSKGFJEDFZSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2S/c1-25(23,24)11-10-21-15-8-4-2-6-13(15)18-17(21)12-22-16-9-5-3-7-14(16)19-20-22/h2-9H,10-12H2,1H3.
What are the key properties of 1-[[1-(2-methylsulfonylethyl)benzimidazol-2-yl]methyl]benzotriazole?
1-[[1-(2-methylsulfonylethyl)benzimidazol-2-yl]methyl]benzotriazole has a molecular weight of 355.42 g/mol, XLogP of 1.87, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-methylsulfonylethyl)benzimidazol-2-yl]methyl]benzotriazole is sourced from PubChem (CID 5272017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).