4-methylsulfonyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine

C12H13N5O3S — CID 106406173

IUPAC4-methylsulfonyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine
SMILESCS(=O)(=O)c1cccc2c1nc(N)n2CCc1ncno1
InChIInChI=1S/C12H13N5O3S/c1-21(18,19)9-4-2-3-8-11(9)16-12(13)17(8)6-5-10-14-7-15-20-10/h2-4,7H,5-6H2,1H3,(H2,13,16)
InChIKeyBSROIIUILVPCAS-UHFFFAOYSA-N
MW307.34 g/mol
LogP0.65
Rot. Bonds4

About 4-methylsulfonyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine

4-methylsulfonyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine (PubChem CID 106406173) has the molecular formula C12H13N5O3S and a molecular weight of 307.34 g/mol. Its IUPAC name is 4-methylsulfonyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine.

Molecular Properties

Compound Name4-methylsulfonyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine
PubChem CID106406173
Molecular FormulaC12H13N5O3S
Molecular Weight307.34 g/mol
Exact Mass307.07
IUPAC Name4-methylsulfonyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine
SMILESCS(=O)(=O)c1cccc2c1nc(N)n2CCc1ncno1
InChIInChI=1S/C12H13N5O3S/c1-21(18,19)9-4-2-3-8-11(9)16-12(13)17(8)6-5-10-14-7-15-20-10/h2-4,7H,5-6H2,1H3,(H2,13,16)
InChIKeyBSROIIUILVPCAS-UHFFFAOYSA-N
XLogP0.65
TPSA116.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-methyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine
CID 106406197
7-chloro-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine
CID 106406210
1-ethyl-3-methyl-6-[2-(1,2,4-oxadiazol-5-yl)ethyl]imidazo[4,5-d]pyrazol-5-amine
CID 106406156
1-(4-methylpiperazin-1-yl)-4-methylsulfonylbenzimidazol-2-amine
CID 83017942
4-fluoro-1-(2-methylsulfonylethyl)benzimidazol-2-amine
CID 54934889
5-[2-[2-(chloromethyl)-4-methoxybenzimidazol-1-yl]ethyl]-1,2,4-oxadiazole
CID 106407212
5-[2-[2-(chloromethyl)-4-ethoxybenzimidazol-1-yl]ethyl]-1,2,4-oxadiazole
CID 106407105
5-fluoro-6-methoxy-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine
CID 106406219
6-chloro-5-fluoro-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine
CID 106406198
6-fluoro-5-iodo-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine
CID 106406214
2-tert-butyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-5-amine
CID 106408046
4-chloro-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine
CID 103008445

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine?
The IUPAC name of 4-methylsulfonyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine (CID 106406173) is 4-methylsulfonyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine.
What is the SMILES notation for 4-methylsulfonyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine?
The canonical SMILES for 4-methylsulfonyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine is CS(=O)(=O)c1cccc2c1nc(N)n2CCc1ncno1.
What is the InChIKey of 4-methylsulfonyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine?
The InChIKey is BSROIIUILVPCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O3S/c1-21(18,19)9-4-2-3-8-11(9)16-12(13)17(8)6-5-10-14-7-15-20-10/h2-4,7H,5-6H2,1H3,(H2,13,16).
What are the key properties of 4-methylsulfonyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine?
4-methylsulfonyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine has a molecular weight of 307.34 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine is sourced from PubChem (CID 106406173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).