2-[1-[2-(4-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]sulfanylethanol

C21H26N2O2S — CID 3118647

IUPAC2-[1-[2-(4-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]sulfanylethanol
SMILESCc1ccc(OCCn2c(SCCO)nc3ccccc32)c(C(C)C)c1
InChIInChI=1S/C21H26N2O2S/c1-15(2)17-14-16(3)8-9-20(17)25-12-10-23-19-7-5-4-6-18(19)22-21(23)26-13-11-24/h4-9,14-15,24H,10-13H2,1-3H3
InChIKeyPVOSZMWXLLCCCQ-UHFFFAOYSA-N
MW370.52 g/mol
LogP4.63
Rot. Bonds8

About 2-[1-[2-(4-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]sulfanylethanol

2-[1-[2-(4-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]sulfanylethanol (PubChem CID 3118647) has the molecular formula C21H26N2O2S and a molecular weight of 370.52 g/mol. Its IUPAC name is 2-[1-[2-(4-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]sulfanylethanol.

Molecular Properties

Compound Name2-[1-[2-(4-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]sulfanylethanol
PubChem CID3118647
Molecular FormulaC21H26N2O2S
Molecular Weight370.52 g/mol
Exact Mass370.17
IUPAC Name2-[1-[2-(4-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]sulfanylethanol
SMILESCc1ccc(OCCn2c(SCCO)nc3ccccc32)c(C(C)C)c1
InChIInChI=1S/C21H26N2O2S/c1-15(2)17-14-16(3)8-9-20(17)25-12-10-23-19-7-5-4-6-18(19)22-21(23)26-13-11-24/h4-9,14-15,24H,10-13H2,1-3H3
InChIKeyPVOSZMWXLLCCCQ-UHFFFAOYSA-N
XLogP4.63
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2,4-dimethylphenoxy)ethyl]-2-propan-2-ylbenzimidazole
CID 16996509
1-(2-methoxyethyl)-2-[2-(2-methylphenoxy)ethylsulfanyl]benzimidazole
CID 22509756
propan-2-yl 2-[2-[2-(2,4-dimethylphenoxy)ethylsulfanyl]benzimidazol-1-yl]acetate
CID 17028039
2-(methoxymethyl)-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole
CID 16996886
2-ethyl-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole
CID 16996412
2-(3-methylphenyl)-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole
CID 17000779
2-[2-(2-naphthalen-2-yloxyethylsulfanyl)benzimidazol-1-yl]ethanol
CID 575539
2-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]sulfanylacetate
CID 3686672
2-[(2-methylphenyl)methyl]-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole
CID 16996118
2-[2-(2,5-dimethylphenoxy)ethylsulfanyl]-1-prop-2-ynylbenzimidazole
CID 17027950
2-[(2-chlorophenoxy)methyl]-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole
CID 16997336
2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-1-(2-methoxyethyl)benzimidazole
CID 112775589

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]sulfanylethanol?
The IUPAC name of 2-[1-[2-(4-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]sulfanylethanol (CID 3118647) is 2-[1-[2-(4-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]sulfanylethanol.
What is the SMILES notation for 2-[1-[2-(4-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]sulfanylethanol?
The canonical SMILES for 2-[1-[2-(4-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]sulfanylethanol is Cc1ccc(OCCn2c(SCCO)nc3ccccc32)c(C(C)C)c1.
What is the InChIKey of 2-[1-[2-(4-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]sulfanylethanol?
The InChIKey is PVOSZMWXLLCCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2S/c1-15(2)17-14-16(3)8-9-20(17)25-12-10-23-19-7-5-4-6-18(19)22-21(23)26-13-11-24/h4-9,14-15,24H,10-13H2,1-3H3.
What are the key properties of 2-[1-[2-(4-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]sulfanylethanol?
2-[1-[2-(4-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]sulfanylethanol has a molecular weight of 370.52 g/mol, XLogP of 4.63, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]sulfanylethanol is sourced from PubChem (CID 3118647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).