[(1-ethylbenzimidazol-2-yl)-(trimethyl-λ4-sulfanyl)methyl]-trimethyl-λ4-sulfane

C16H28N2S2 — CID 89375402

IUPAC[(1-ethylbenzimidazol-2-yl)-(trimethyl-λ4-sulfanyl)methyl]-trimethyl-λ4-sulfane
SMILESCCn1c(C(S(C)(C)C)S(C)(C)C)nc2ccccc21
InChIInChI=1S/C16H28N2S2/c1-8-18-14-12-10-9-11-13(14)17-15(18)16(19(2,3)4)20(5,6)7/h9-12,16H,8H2,1-7H3
InChIKeyLJOLOKMJHCOYMV-UHFFFAOYSA-N
MW312.55 g/mol
LogP4.44
Rot. Bonds4

About [(1-ethylbenzimidazol-2-yl)-(trimethyl-λ4-sulfanyl)methyl]-trimethyl-λ4-sulfane

[(1-ethylbenzimidazol-2-yl)-(trimethyl-λ4-sulfanyl)methyl]-trimethyl-λ4-sulfane (PubChem CID 89375402) has the molecular formula C16H28N2S2 and a molecular weight of 312.55 g/mol. Its IUPAC name is [(1-ethylbenzimidazol-2-yl)-(trimethyl-λ4-sulfanyl)methyl]-trimethyl-λ4-sulfane.

Molecular Properties

Compound Name[(1-ethylbenzimidazol-2-yl)-(trimethyl-λ4-sulfanyl)methyl]-trimethyl-λ4-sulfane
PubChem CID89375402
Molecular FormulaC16H28N2S2
Molecular Weight312.55 g/mol
Exact Mass312.17
IUPAC Name[(1-ethylbenzimidazol-2-yl)-(trimethyl-λ4-sulfanyl)methyl]-trimethyl-λ4-sulfane
SMILESCCn1c(C(S(C)(C)C)S(C)(C)C)nc2ccccc21
InChIInChI=1S/C16H28N2S2/c1-8-18-14-12-10-9-11-13(14)17-15(18)16(19(2,3)4)20(5,6)7/h9-12,16H,8H2,1-7H3
InChIKeyLJOLOKMJHCOYMV-UHFFFAOYSA-N
XLogP4.44
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.55
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-2-propan-2-ylbenzimidazole
CID 962427
2-(1-ethylbenzimidazol-2-yl)-3-phenylpropan-1-amine
CID 83976225
1-ethyl-2-(1-phenoxyethyl)benzimidazole
CID 2984876
(S)-(1-ethylbenzimidazol-2-yl)-(4-methylphenyl)methanol
CID 762121
2-(1-ethylbenzimidazol-2-yl)-3-pyridin-3-ylpropan-1-amine
CID 83976202
4,4-bis(1-ethylbenzimidazol-2-yl)butane-1-sulfonate
CID 102313711
3-(4-ethoxyphenyl)-2-(1-ethylbenzimidazol-2-yl)propan-1-amine
CID 83976218
(S)-(1-ethylbenzimidazol-2-yl)-(4-methoxyphenyl)methanol
CID 914008
2-ethyl-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]butanamide
CID 16968998
bis(1-ethylbenzimidazol-2-yl)methanone
CID 22887473
1-ethyl-2-[(E)-2-(1-ethylbenzimidazol-2-yl)ethenyl]benzimidazole;dihydrate
CID 139069013
2-(1-ethylbenzimidazol-2-yl)acetaldehyde
CID 79753358

Frequently Asked Questions

What is the IUPAC name of [(1-ethylbenzimidazol-2-yl)-(trimethyl-λ4-sulfanyl)methyl]-trimethyl-λ4-sulfane?
The IUPAC name of [(1-ethylbenzimidazol-2-yl)-(trimethyl-λ4-sulfanyl)methyl]-trimethyl-λ4-sulfane (CID 89375402) is [(1-ethylbenzimidazol-2-yl)-(trimethyl-λ4-sulfanyl)methyl]-trimethyl-λ4-sulfane.
What is the SMILES notation for [(1-ethylbenzimidazol-2-yl)-(trimethyl-λ4-sulfanyl)methyl]-trimethyl-λ4-sulfane?
The canonical SMILES for [(1-ethylbenzimidazol-2-yl)-(trimethyl-λ4-sulfanyl)methyl]-trimethyl-λ4-sulfane is CCn1c(C(S(C)(C)C)S(C)(C)C)nc2ccccc21.
What is the InChIKey of [(1-ethylbenzimidazol-2-yl)-(trimethyl-λ4-sulfanyl)methyl]-trimethyl-λ4-sulfane?
The InChIKey is LJOLOKMJHCOYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S2/c1-8-18-14-12-10-9-11-13(14)17-15(18)16(19(2,3)4)20(5,6)7/h9-12,16H,8H2,1-7H3.
What are the key properties of [(1-ethylbenzimidazol-2-yl)-(trimethyl-λ4-sulfanyl)methyl]-trimethyl-λ4-sulfane?
[(1-ethylbenzimidazol-2-yl)-(trimethyl-λ4-sulfanyl)methyl]-trimethyl-λ4-sulfane has a molecular weight of 312.55 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1-ethylbenzimidazol-2-yl)-(trimethyl-λ4-sulfanyl)methyl]-trimethyl-λ4-sulfane is sourced from PubChem (CID 89375402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).