1-(2,5-dimethylphenoxy)-3-[2-(furan-3-yl)benzimidazol-1-yl]propan-2-ol

C22H22N2O3 — CID 47087322

IUPAC1-(2,5-dimethylphenoxy)-3-[2-(furan-3-yl)benzimidazol-1-yl]propan-2-ol
SMILESCc1ccc(C)c(OCC(O)Cn2c(-c3ccoc3)nc3ccccc32)c1
InChIInChI=1S/C22H22N2O3/c1-15-7-8-16(2)21(11-15)27-14-18(25)12-24-20-6-4-3-5-19(20)23-22(24)17-9-10-26-13-17/h3-11,13,18,25H,12,14H2,1-2H3
InChIKeyIWEUAUTVCZQTEQ-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.35
Rot. Bonds6

About 1-(2,5-dimethylphenoxy)-3-[2-(furan-3-yl)benzimidazol-1-yl]propan-2-ol

1-(2,5-dimethylphenoxy)-3-[2-(furan-3-yl)benzimidazol-1-yl]propan-2-ol (PubChem CID 47087322) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 1-(2,5-dimethylphenoxy)-3-[2-(furan-3-yl)benzimidazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(2,5-dimethylphenoxy)-3-[2-(furan-3-yl)benzimidazol-1-yl]propan-2-ol
PubChem CID47087322
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name1-(2,5-dimethylphenoxy)-3-[2-(furan-3-yl)benzimidazol-1-yl]propan-2-ol
SMILESCc1ccc(C)c(OCC(O)Cn2c(-c3ccoc3)nc3ccccc32)c1
InChIInChI=1S/C22H22N2O3/c1-15-7-8-16(2)21(11-15)27-14-18(25)12-24-20-6-4-3-5-19(20)23-22(24)17-9-10-26-13-17/h3-11,13,18,25H,12,14H2,1-2H3
InChIKeyIWEUAUTVCZQTEQ-UHFFFAOYSA-N
XLogP4.35
TPSA60.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,5-dimethylphenoxy)-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol
CID 138960897
(2S)-1-(2-benzylbenzimidazol-1-yl)-3-(2,5-dimethylphenoxy)propan-2-ol
CID 92501262
1-(2-cyclobutylbenzimidazol-1-yl)-3-(2,5-dimethylphenoxy)propan-2-ol;hydrochloride
CID 138961183
(2S)-1-(2-cyclohexylbenzimidazol-1-yl)-3-(2,5-dimethylphenoxy)propan-2-ol
CID 92501278
1-(2,5-dimethylphenoxy)-3-[2-(oxolan-2-yl)benzimidazol-1-yl]propan-2-ol;hydrochloride
CID 138960703
3-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-2-methylquinazolin-4-one
CID 110885773
1-(2-chloro-4-methylphenoxy)-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol
CID 138960959
(4R)-1-tert-butyl-4-[1-[(2S)-3-(2,5-dimethylphenoxy)-2-hydroxypropyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 27408205
(4R)-4-[1-[(2S)-3-(2,5-dimethylphenoxy)-2-hydroxypropyl]benzimidazol-2-yl]-1-phenylpyrrolidin-2-one
CID 92902148
(4R)-4-[1-[(2S)-3-(2,5-dimethylphenoxy)-2-hydroxypropyl]benzimidazol-2-yl]-1-prop-2-enylpyrrolidin-2-one
CID 27408154
(2R)-1-(2-methoxyphenoxy)-3-(2-methylbenzimidazol-1-yl)propan-2-ol
CID 879417
(2S)-1-(5-methyl-2-propan-2-ylphenoxy)-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol
CID 40547431

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenoxy)-3-[2-(furan-3-yl)benzimidazol-1-yl]propan-2-ol?
The IUPAC name of 1-(2,5-dimethylphenoxy)-3-[2-(furan-3-yl)benzimidazol-1-yl]propan-2-ol (CID 47087322) is 1-(2,5-dimethylphenoxy)-3-[2-(furan-3-yl)benzimidazol-1-yl]propan-2-ol.
What is the SMILES notation for 1-(2,5-dimethylphenoxy)-3-[2-(furan-3-yl)benzimidazol-1-yl]propan-2-ol?
The canonical SMILES for 1-(2,5-dimethylphenoxy)-3-[2-(furan-3-yl)benzimidazol-1-yl]propan-2-ol is Cc1ccc(C)c(OCC(O)Cn2c(-c3ccoc3)nc3ccccc32)c1.
What is the InChIKey of 1-(2,5-dimethylphenoxy)-3-[2-(furan-3-yl)benzimidazol-1-yl]propan-2-ol?
The InChIKey is IWEUAUTVCZQTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-15-7-8-16(2)21(11-15)27-14-18(25)12-24-20-6-4-3-5-19(20)23-22(24)17-9-10-26-13-17/h3-11,13,18,25H,12,14H2,1-2H3.
What are the key properties of 1-(2,5-dimethylphenoxy)-3-[2-(furan-3-yl)benzimidazol-1-yl]propan-2-ol?
1-(2,5-dimethylphenoxy)-3-[2-(furan-3-yl)benzimidazol-1-yl]propan-2-ol has a molecular weight of 362.43 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenoxy)-3-[2-(furan-3-yl)benzimidazol-1-yl]propan-2-ol is sourced from PubChem (CID 47087322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).