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

C21H26N2O3 — CID 47557039

IUPAC1-(3,5-dimethylphenoxy)-3-[2-(3-hydroxypropyl)benzimidazol-1-yl]propan-2-ol
SMILESCc1cc(C)cc(OCC(O)Cn2c(CCCO)nc3ccccc32)c1
InChIInChI=1S/C21H26N2O3/c1-15-10-16(2)12-18(11-15)26-14-17(25)13-23-20-7-4-3-6-19(20)22-21(23)8-5-9-24/h3-4,6-7,10-12,17,24-25H,5,8-9,13-14H2,1-2H3
InChIKeyVVAISUAJXHGKRV-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.02
Rot. Bonds8

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

1-(3,5-dimethylphenoxy)-3-[2-(3-hydroxypropyl)benzimidazol-1-yl]propan-2-ol (PubChem CID 47557039) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 1-(3,5-dimethylphenoxy)-3-[2-(3-hydroxypropyl)benzimidazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(3,5-dimethylphenoxy)-3-[2-(3-hydroxypropyl)benzimidazol-1-yl]propan-2-ol
PubChem CID47557039
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name1-(3,5-dimethylphenoxy)-3-[2-(3-hydroxypropyl)benzimidazol-1-yl]propan-2-ol
SMILESCc1cc(C)cc(OCC(O)Cn2c(CCCO)nc3ccccc32)c1
InChIInChI=1S/C21H26N2O3/c1-15-10-16(2)12-18(11-15)26-14-17(25)13-23-20-7-4-3-6-19(20)22-21(23)8-5-9-24/h3-4,6-7,10-12,17,24-25H,5,8-9,13-14H2,1-2H3
InChIKeyVVAISUAJXHGKRV-UHFFFAOYSA-N
XLogP3.02
TPSA67.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,5-dimethylphenoxy)-3-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]propan-2-ol
CID 46270267
1-[2-(3-hydroxypropyl)benzimidazol-1-yl]-3-(3-nitrophenoxy)propan-2-ol
CID 60585153
(2R)-1-(3,5-dimethylphenoxy)-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol
CID 96571408
1-[2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]-3-(3,5-dimethylphenoxy)propan-2-ol
CID 156620630
1-(4-methylphenoxy)-3-[2-[(2,4,6-trimethylphenoxy)methyl]benzimidazol-1-yl]propan-2-ol
CID 156620697
1-(4-methylphenoxy)-3-[2-(phenoxymethyl)benzimidazol-1-yl]propan-2-ol
CID 43837450
1-(2-cyclobutylbenzimidazol-1-yl)-3-(3,5-dimethylphenoxy)propan-2-ol;hydrochloride
CID 138961177
1-(4-chloro-3,5-dimethylphenoxy)-3-[2-(methoxymethyl)benzimidazol-1-yl]propan-2-ol
CID 42653343
N-[2-[1-[2-hydroxy-3-(3-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 85452280
(2R)-1-(2-benzylbenzimidazol-1-yl)-3-(3,5-dimethoxyphenoxy)propan-2-ol
CID 1090499
(2R)-1-[4-[(2R)-2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]phenoxy]-3-(2-methylbenzimidazol-1-yl)propan-2-ol
CID 1151095
(2R)-1-(4-tert-butylphenoxy)-3-[2-(hydroxymethyl)benzimidazol-1-yl]propan-2-ol
CID 40637460

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenoxy)-3-[2-(3-hydroxypropyl)benzimidazol-1-yl]propan-2-ol?
The IUPAC name of 1-(3,5-dimethylphenoxy)-3-[2-(3-hydroxypropyl)benzimidazol-1-yl]propan-2-ol (CID 47557039) is 1-(3,5-dimethylphenoxy)-3-[2-(3-hydroxypropyl)benzimidazol-1-yl]propan-2-ol.
What is the SMILES notation for 1-(3,5-dimethylphenoxy)-3-[2-(3-hydroxypropyl)benzimidazol-1-yl]propan-2-ol?
The canonical SMILES for 1-(3,5-dimethylphenoxy)-3-[2-(3-hydroxypropyl)benzimidazol-1-yl]propan-2-ol is Cc1cc(C)cc(OCC(O)Cn2c(CCCO)nc3ccccc32)c1.
What is the InChIKey of 1-(3,5-dimethylphenoxy)-3-[2-(3-hydroxypropyl)benzimidazol-1-yl]propan-2-ol?
The InChIKey is VVAISUAJXHGKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-15-10-16(2)12-18(11-15)26-14-17(25)13-23-20-7-4-3-6-19(20)22-21(23)8-5-9-24/h3-4,6-7,10-12,17,24-25H,5,8-9,13-14H2,1-2H3.
What are the key properties of 1-(3,5-dimethylphenoxy)-3-[2-(3-hydroxypropyl)benzimidazol-1-yl]propan-2-ol?
1-(3,5-dimethylphenoxy)-3-[2-(3-hydroxypropyl)benzimidazol-1-yl]propan-2-ol has a molecular weight of 354.45 g/mol, XLogP of 3.02, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenoxy)-3-[2-(3-hydroxypropyl)benzimidazol-1-yl]propan-2-ol is sourced from PubChem (CID 47557039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).