2-[4-ethylsulfanyl-7-methoxy-2-(4-propan-2-ylphenyl)benzimidazol-1-yl]ethanol

C21H26N2O2S — CID 143079019

IUPAC2-[4-ethylsulfanyl-7-methoxy-2-(4-propan-2-ylphenyl)benzimidazol-1-yl]ethanol
SMILESCCSc1ccc(OC)c2c1nc(-c1ccc(C(C)C)cc1)n2CCO
InChIInChI=1S/C21H26N2O2S/c1-5-26-18-11-10-17(25-4)20-19(18)22-21(23(20)12-13-24)16-8-6-15(7-9-16)14(2)3/h6-11,14,24H,5,12-13H2,1-4H3
InChIKeyYYTUNYJBGYLPSJ-UHFFFAOYSA-N
MW370.52 g/mol
LogP4.94
Rot. Bonds7

About 2-[4-ethylsulfanyl-7-methoxy-2-(4-propan-2-ylphenyl)benzimidazol-1-yl]ethanol

2-[4-ethylsulfanyl-7-methoxy-2-(4-propan-2-ylphenyl)benzimidazol-1-yl]ethanol (PubChem CID 143079019) has the molecular formula C21H26N2O2S and a molecular weight of 370.52 g/mol. Its IUPAC name is 2-[4-ethylsulfanyl-7-methoxy-2-(4-propan-2-ylphenyl)benzimidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-ethylsulfanyl-7-methoxy-2-(4-propan-2-ylphenyl)benzimidazol-1-yl]ethanol
PubChem CID143079019
Molecular FormulaC21H26N2O2S
Molecular Weight370.52 g/mol
Exact Mass370.17
IUPAC Name2-[4-ethylsulfanyl-7-methoxy-2-(4-propan-2-ylphenyl)benzimidazol-1-yl]ethanol
SMILESCCSc1ccc(OC)c2c1nc(-c1ccc(C(C)C)cc1)n2CCO
InChIInChI=1S/C21H26N2O2S/c1-5-26-18-11-10-17(25-4)20-19(18)22-21(23(20)12-13-24)16-8-6-15(7-9-16)14(2)3/h6-11,14,24H,5,12-13H2,1-4H3
InChIKeyYYTUNYJBGYLPSJ-UHFFFAOYSA-N
XLogP4.94
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-7-methoxy-1-(2-methoxyethyl)-2-(4-propan-2-ylphenyl)benzimidazole
CID 11281119
2-[5-[hydroxy-(2-methoxyphenyl)methyl]-4-iodo-7-methoxy-2-(4-propan-2-ylphenyl)benzimidazol-1-yl]ethanol
CID 143078917
2-[4-bromo-5-[[2-(2-hydroxyethoxy)phenoxy]methyl]-7-methoxy-2-(4-propan-2-ylphenyl)benzimidazol-1-yl]ethanol
CID 143098515
2-[4-bromo-5-(indazol-1-ylmethyl)-7-methoxy-2-(4-propan-2-ylphenyl)benzimidazol-1-yl]ethanol
CID 11785692
2-[4-bromo-7-methoxy-5-[(4-methylpyrazol-1-yl)methyl]-2-(4-propan-2-ylphenyl)benzimidazol-1-yl]ethanol
CID 143078966
3-[4-bromo-1-(2-hydroxyethyl)-7-methoxy-2-(4-propan-2-ylphenyl)benzimidazol-5-yl]benzonitrile
CID 143079079
4-bromo-7-methoxy-1-(2-methoxyethyl)-5-phenylsulfanyl-2-(4-propan-2-ylphenyl)benzimidazole
CID 11352750
4-bromo-5-[(3,4-dimethoxyphenyl)methyl]-7-methoxy-1-(2-methoxyethyl)-2-(4-propan-2-ylphenyl)benzimidazole
CID 11786197
4-bromo-5-[(3,5-difluorophenyl)methyl]-7-methoxy-1-(2-methoxyethyl)-2-(4-propan-2-ylphenyl)benzimidazole
CID 11752881
4-bromo-7-methoxy-1-(2-methoxyethyl)-5-phenyl-2-(4-propan-2-ylphenyl)benzimidazole;4,7-dibromo-1-(2-methoxyethyl)-2-(4-propan-2-ylphenyl)benzimidazole
CID 160703959
4-iodo-7-methoxy-1-(2-methoxyethyl)-2-(4-propan-2-ylphenyl)-5-(pyridin-3-ylmethyl)benzimidazole
CID 59479384
5-[(2-ethoxy-3-pyridinyl)methyl]-7-methoxy-1-(2-methoxyethyl)-2-(4-propan-2-ylphenyl)-4-(trifluoromethyl)benzimidazole
CID 24753710

Frequently Asked Questions

What is the IUPAC name of 2-[4-ethylsulfanyl-7-methoxy-2-(4-propan-2-ylphenyl)benzimidazol-1-yl]ethanol?
The IUPAC name of 2-[4-ethylsulfanyl-7-methoxy-2-(4-propan-2-ylphenyl)benzimidazol-1-yl]ethanol (CID 143079019) is 2-[4-ethylsulfanyl-7-methoxy-2-(4-propan-2-ylphenyl)benzimidazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-ethylsulfanyl-7-methoxy-2-(4-propan-2-ylphenyl)benzimidazol-1-yl]ethanol?
The canonical SMILES for 2-[4-ethylsulfanyl-7-methoxy-2-(4-propan-2-ylphenyl)benzimidazol-1-yl]ethanol is CCSc1ccc(OC)c2c1nc(-c1ccc(C(C)C)cc1)n2CCO.
What is the InChIKey of 2-[4-ethylsulfanyl-7-methoxy-2-(4-propan-2-ylphenyl)benzimidazol-1-yl]ethanol?
The InChIKey is YYTUNYJBGYLPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2S/c1-5-26-18-11-10-17(25-4)20-19(18)22-21(23(20)12-13-24)16-8-6-15(7-9-16)14(2)3/h6-11,14,24H,5,12-13H2,1-4H3.
What are the key properties of 2-[4-ethylsulfanyl-7-methoxy-2-(4-propan-2-ylphenyl)benzimidazol-1-yl]ethanol?
2-[4-ethylsulfanyl-7-methoxy-2-(4-propan-2-ylphenyl)benzimidazol-1-yl]ethanol has a molecular weight of 370.52 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-ethylsulfanyl-7-methoxy-2-(4-propan-2-ylphenyl)benzimidazol-1-yl]ethanol is sourced from PubChem (CID 143079019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).