1-(2-chloro-4-methylphenoxy)-3-[2-(oxolan-2-yl)benzimidazol-1-yl]propan-2-ol

C21H23ClN2O3 — CID 138960775

IUPAC1-(2-chloro-4-methylphenoxy)-3-[2-(oxolan-2-yl)benzimidazol-1-yl]propan-2-ol
SMILESCc1ccc(OCC(O)Cn2c(C3CCCO3)nc3ccccc32)c(Cl)c1
InChIInChI=1S/C21H23ClN2O3/c1-14-8-9-19(16(22)11-14)27-13-15(25)12-24-18-6-3-2-5-17(18)23-21(24)20-7-4-10-26-20/h2-3,5-6,8-9,11,15,20,25H,4,7,10,12-13H2,1H3
InChIKeyOECQMIGXNFBXHF-UHFFFAOYSA-N
MW386.88 g/mol
LogP4.29
Rot. Bonds6

About 1-(2-chloro-4-methylphenoxy)-3-[2-(oxolan-2-yl)benzimidazol-1-yl]propan-2-ol

1-(2-chloro-4-methylphenoxy)-3-[2-(oxolan-2-yl)benzimidazol-1-yl]propan-2-ol (PubChem CID 138960775) has the molecular formula C21H23ClN2O3 and a molecular weight of 386.88 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenoxy)-3-[2-(oxolan-2-yl)benzimidazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenoxy)-3-[2-(oxolan-2-yl)benzimidazol-1-yl]propan-2-ol
PubChem CID138960775
Molecular FormulaC21H23ClN2O3
Molecular Weight386.88 g/mol
Exact Mass386.14
IUPAC Name1-(2-chloro-4-methylphenoxy)-3-[2-(oxolan-2-yl)benzimidazol-1-yl]propan-2-ol
SMILESCc1ccc(OCC(O)Cn2c(C3CCCO3)nc3ccccc32)c(Cl)c1
InChIInChI=1S/C21H23ClN2O3/c1-14-8-9-19(16(22)11-14)27-13-15(25)12-24-18-6-3-2-5-17(18)23-21(24)20-7-4-10-26-20/h2-3,5-6,8-9,11,15,20,25H,4,7,10,12-13H2,1H3
InChIKeyOECQMIGXNFBXHF-UHFFFAOYSA-N
XLogP4.29
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-chloro-4-methylphenoxy)-3-[2-(oxolan-2-yl)benzimidazol-1-yl]propan-2-ol;hydrochloride
CID 138960774
1-(2,5-dimethylphenoxy)-3-[2-(oxolan-2-yl)benzimidazol-1-yl]propan-2-ol;hydrochloride
CID 138960703
1-[2-(oxolan-2-yl)benzimidazol-1-yl]-3-(2,4,6-trimethylphenoxy)propan-2-ol
CID 138960700
1-[(4-methylphenyl)methoxy]-3-[2-(oxolan-2-yl)benzimidazol-1-yl]propan-2-ol;hydrochloride
CID 138960739
1-(2,6-dimethoxyphenoxy)-3-[2-(oxolan-2-yl)benzimidazol-1-yl]propan-2-ol;hydrochloride
CID 138960725
1-(2-chloro-4-methylphenoxy)-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol
CID 138960959
1-(4-fluorophenoxy)-3-[2-(oxolan-2-yl)benzimidazol-1-yl]propan-2-ol
CID 138960724
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-tert-butyl-4-methylphenoxy)-3-(2-cyclopentylbenzimidazol-1-yl)propan-2-ol
CID 138960310
1-(2-tert-butyl-4-methylphenoxy)-3-(2-cyclopentylbenzimidazol-1-yl)propan-2-ol;hydrochloride
CID 138960309
(4R)-1-(4-chlorophenyl)-4-[1-[(2S)-3-(2,5-dimethylphenoxy)-2-hydroxypropyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 27408134

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenoxy)-3-[2-(oxolan-2-yl)benzimidazol-1-yl]propan-2-ol?
The IUPAC name of 1-(2-chloro-4-methylphenoxy)-3-[2-(oxolan-2-yl)benzimidazol-1-yl]propan-2-ol (CID 138960775) is 1-(2-chloro-4-methylphenoxy)-3-[2-(oxolan-2-yl)benzimidazol-1-yl]propan-2-ol.
What is the SMILES notation for 1-(2-chloro-4-methylphenoxy)-3-[2-(oxolan-2-yl)benzimidazol-1-yl]propan-2-ol?
The canonical SMILES for 1-(2-chloro-4-methylphenoxy)-3-[2-(oxolan-2-yl)benzimidazol-1-yl]propan-2-ol is Cc1ccc(OCC(O)Cn2c(C3CCCO3)nc3ccccc32)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-methylphenoxy)-3-[2-(oxolan-2-yl)benzimidazol-1-yl]propan-2-ol?
The InChIKey is OECQMIGXNFBXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O3/c1-14-8-9-19(16(22)11-14)27-13-15(25)12-24-18-6-3-2-5-17(18)23-21(24)20-7-4-10-26-20/h2-3,5-6,8-9,11,15,20,25H,4,7,10,12-13H2,1H3.
What are the key properties of 1-(2-chloro-4-methylphenoxy)-3-[2-(oxolan-2-yl)benzimidazol-1-yl]propan-2-ol?
1-(2-chloro-4-methylphenoxy)-3-[2-(oxolan-2-yl)benzimidazol-1-yl]propan-2-ol has a molecular weight of 386.88 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenoxy)-3-[2-(oxolan-2-yl)benzimidazol-1-yl]propan-2-ol is sourced from PubChem (CID 138960775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).