5-methoxy-1-methyl-2-(piperazin-1-ylmethylsulfanyl)benzimidazole

C14H20N4OS — CID 84617194

IUPAC5-methoxy-1-methyl-2-(piperazin-1-ylmethylsulfanyl)benzimidazole
SMILESCOc1ccc2c(c1)nc(SCN1CCNCC1)n2C
InChIInChI=1S/C14H20N4OS/c1-17-13-4-3-11(19-2)9-12(13)16-14(17)20-10-18-7-5-15-6-8-18/h3-4,9,15H,5-8,10H2,1-2H3
InChIKeyYWADKIDYXFXBQH-UHFFFAOYSA-N
MW292.41 g/mol
LogP1.54
Rot. Bonds4

About 5-methoxy-1-methyl-2-(piperazin-1-ylmethylsulfanyl)benzimidazole

5-methoxy-1-methyl-2-(piperazin-1-ylmethylsulfanyl)benzimidazole (PubChem CID 84617194) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 5-methoxy-1-methyl-2-(piperazin-1-ylmethylsulfanyl)benzimidazole.

Molecular Properties

Compound Name5-methoxy-1-methyl-2-(piperazin-1-ylmethylsulfanyl)benzimidazole
PubChem CID84617194
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name5-methoxy-1-methyl-2-(piperazin-1-ylmethylsulfanyl)benzimidazole
SMILESCOc1ccc2c(c1)nc(SCN1CCNCC1)n2C
InChIInChI=1S/C14H20N4OS/c1-17-13-4-3-11(19-2)9-12(13)16-14(17)20-10-18-7-5-15-6-8-18/h3-4,9,15H,5-8,10H2,1-2H3
InChIKeyYWADKIDYXFXBQH-UHFFFAOYSA-N
XLogP1.54
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2,5-dimethoxyphenyl)sulfanylmethyl]piperazine
CID 117033913
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1-(4-methoxyphenyl)-2-piperazin-1-ylethanamine
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2-(5-methoxy-1-methylbenzimidazol-2-yl)sulfanyl-1-(3-nitrophenyl)ethanone
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2-chloro-5-methoxy-1-methylbenzimidazole
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2-(5-methoxy-1-methylbenzimidazol-2-yl)acetic acid
CID 82334255
5-methoxy-1-methyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole
CID 106983270
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-(5-methoxy-1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 6326506
1-(1,2-dimethylbenzimidazol-5-yl)-3-piperazin-1-ylpropan-1-one
CID 94724130
5-methoxy-1-methyl-3-(2-piperazin-1-ylethyl)indole
CID 95432828
1-(2-fluoro-4-methoxyphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylethanone
CID 4524981

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-methyl-2-(piperazin-1-ylmethylsulfanyl)benzimidazole?
The IUPAC name of 5-methoxy-1-methyl-2-(piperazin-1-ylmethylsulfanyl)benzimidazole (CID 84617194) is 5-methoxy-1-methyl-2-(piperazin-1-ylmethylsulfanyl)benzimidazole.
What is the SMILES notation for 5-methoxy-1-methyl-2-(piperazin-1-ylmethylsulfanyl)benzimidazole?
The canonical SMILES for 5-methoxy-1-methyl-2-(piperazin-1-ylmethylsulfanyl)benzimidazole is COc1ccc2c(c1)nc(SCN1CCNCC1)n2C.
What is the InChIKey of 5-methoxy-1-methyl-2-(piperazin-1-ylmethylsulfanyl)benzimidazole?
The InChIKey is YWADKIDYXFXBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-17-13-4-3-11(19-2)9-12(13)16-14(17)20-10-18-7-5-15-6-8-18/h3-4,9,15H,5-8,10H2,1-2H3.
What are the key properties of 5-methoxy-1-methyl-2-(piperazin-1-ylmethylsulfanyl)benzimidazole?
5-methoxy-1-methyl-2-(piperazin-1-ylmethylsulfanyl)benzimidazole has a molecular weight of 292.41 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-methyl-2-(piperazin-1-ylmethylsulfanyl)benzimidazole is sourced from PubChem (CID 84617194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).