1-(2,5-dimethylphenoxy)-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol

C21H26N2O2 — CID 138960897

IUPAC1-(2,5-dimethylphenoxy)-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol
SMILESCc1ccc(C)c(OCC(O)Cn2c(C(C)C)nc3ccccc32)c1
InChIInChI=1S/C21H26N2O2/c1-14(2)21-22-18-7-5-6-8-19(18)23(21)12-17(24)13-25-20-11-15(3)9-10-16(20)4/h5-11,14,17,24H,12-13H2,1-4H3
InChIKeyIMJSUPAHYPMIID-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.22
Rot. Bonds6

About 1-(2,5-dimethylphenoxy)-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol

1-(2,5-dimethylphenoxy)-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol (PubChem CID 138960897) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-(2,5-dimethylphenoxy)-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2,5-dimethylphenoxy)-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol
PubChem CID138960897
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name1-(2,5-dimethylphenoxy)-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol
SMILESCc1ccc(C)c(OCC(O)Cn2c(C(C)C)nc3ccccc32)c1
InChIInChI=1S/C21H26N2O2/c1-14(2)21-22-18-7-5-6-8-19(18)23(21)12-17(24)13-25-20-11-15(3)9-10-16(20)4/h5-11,14,17,24H,12-13H2,1-4H3
InChIKeyIMJSUPAHYPMIID-UHFFFAOYSA-N
XLogP4.22
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chloro-4-methylphenoxy)-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol
CID 138960959
1-(2-methylphenoxy)-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol;hydrochloride
CID 138960886
(2R)-1-(3,5-dimethylphenoxy)-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol
CID 96571408
(2S)-1-(2-benzylbenzimidazol-1-yl)-3-(2,5-dimethylphenoxy)propan-2-ol
CID 92501262
1-(2,5-dimethylphenoxy)-3-[2-(furan-3-yl)benzimidazol-1-yl]propan-2-ol
CID 47087322
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-naphthalen-2-yloxy-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol
CID 15998647
1-[2-[(2S)-2-hydroxy-3-(2-propan-2-ylbenzimidazol-1-yl)propoxy]phenyl]ethanone
CID 1090516
1-(2,5-dimethylphenoxy)-3-[2-(oxolan-2-yl)benzimidazol-1-yl]propan-2-ol;hydrochloride
CID 138960703
1-(2-propan-2-ylbenzimidazol-1-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 44884546
1-(5-methyl-2-propan-2-ylphenoxy)-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol
CID 17028438

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenoxy)-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol?
The IUPAC name of 1-(2,5-dimethylphenoxy)-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol (CID 138960897) is 1-(2,5-dimethylphenoxy)-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-(2,5-dimethylphenoxy)-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol?
The canonical SMILES for 1-(2,5-dimethylphenoxy)-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol is Cc1ccc(C)c(OCC(O)Cn2c(C(C)C)nc3ccccc32)c1.
What is the InChIKey of 1-(2,5-dimethylphenoxy)-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol?
The InChIKey is IMJSUPAHYPMIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-14(2)21-22-18-7-5-6-8-19(18)23(21)12-17(24)13-25-20-11-15(3)9-10-16(20)4/h5-11,14,17,24H,12-13H2,1-4H3.
What are the key properties of 1-(2,5-dimethylphenoxy)-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol?
1-(2,5-dimethylphenoxy)-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol has a molecular weight of 338.45 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenoxy)-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol is sourced from PubChem (CID 138960897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).