2-benzylsulfanyl-1-butylbenzimidazole

C18H20N2S — CID 46731856

IUPAC2-benzylsulfanyl-1-butylbenzimidazole
SMILESCCCCn1c(SCc2ccccc2)nc2ccccc21
InChIInChI=1S/C18H20N2S/c1-2-3-13-20-17-12-8-7-11-16(17)19-18(20)21-14-15-9-5-4-6-10-15/h4-12H,2-3,13-14H2,1H3
InChIKeyVARYKSWARCAZKH-UHFFFAOYSA-N
MW296.44 g/mol
LogP5.13
Rot. Bonds6

About 2-benzylsulfanyl-1-butylbenzimidazole

2-benzylsulfanyl-1-butylbenzimidazole (PubChem CID 46731856) has the molecular formula C18H20N2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 2-benzylsulfanyl-1-butylbenzimidazole.

Molecular Properties

Compound Name2-benzylsulfanyl-1-butylbenzimidazole
PubChem CID46731856
Molecular FormulaC18H20N2S
Molecular Weight296.44 g/mol
Exact Mass296.13
IUPAC Name2-benzylsulfanyl-1-butylbenzimidazole
SMILESCCCCn1c(SCc2ccccc2)nc2ccccc21
InChIInChI=1S/C18H20N2S/c1-2-3-13-20-17-12-8-7-11-16(17)19-18(20)21-14-15-9-5-4-6-10-15/h4-12H,2-3,13-14H2,1H3
InChIKeyVARYKSWARCAZKH-UHFFFAOYSA-N
XLogP5.13
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.44
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(1-pentylbenzimidazol-2-yl)sulfanylacetamide
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3,5-dimethyl-4-[(1-pentylbenzimidazol-2-yl)sulfanylmethyl]-1,2-oxazole
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1-butyl-2-(1-butylbenzimidazol-2-yl)benzimidazole
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1-benzyl-2-ethylsulfanylbenzimidazole
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6-[(2-benzylsulfanylbenzimidazol-1-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 25330697
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CID 163332838
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Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-1-butylbenzimidazole?
The IUPAC name of 2-benzylsulfanyl-1-butylbenzimidazole (CID 46731856) is 2-benzylsulfanyl-1-butylbenzimidazole.
What is the SMILES notation for 2-benzylsulfanyl-1-butylbenzimidazole?
The canonical SMILES for 2-benzylsulfanyl-1-butylbenzimidazole is CCCCn1c(SCc2ccccc2)nc2ccccc21.
What is the InChIKey of 2-benzylsulfanyl-1-butylbenzimidazole?
The InChIKey is VARYKSWARCAZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2S/c1-2-3-13-20-17-12-8-7-11-16(17)19-18(20)21-14-15-9-5-4-6-10-15/h4-12H,2-3,13-14H2,1H3.
What are the key properties of 2-benzylsulfanyl-1-butylbenzimidazole?
2-benzylsulfanyl-1-butylbenzimidazole has a molecular weight of 296.44 g/mol, XLogP of 5.13, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-1-butylbenzimidazole is sourced from PubChem (CID 46731856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).