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

C26H28N2O3 — CID 46270267

IUPAC1-(3,5-dimethylphenoxy)-3-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]propan-2-ol
SMILESCc1cccc(OCc2nc3ccccc3n2CC(O)COc2cc(C)cc(C)c2)c1
InChIInChI=1S/C26H28N2O3/c1-18-7-6-8-22(12-18)31-17-26-27-24-9-4-5-10-25(24)28(26)15-21(29)16-30-23-13-19(2)11-20(3)14-23/h4-14,21,29H,15-17H2,1-3H3
InChIKeyMDZJKSUMOZYJBX-UHFFFAOYSA-N
MW416.52 g/mol
LogP4.98
Rot. Bonds8

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

1-(3,5-dimethylphenoxy)-3-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]propan-2-ol (PubChem CID 46270267) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is 1-(3,5-dimethylphenoxy)-3-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(3,5-dimethylphenoxy)-3-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]propan-2-ol
PubChem CID46270267
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC Name1-(3,5-dimethylphenoxy)-3-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]propan-2-ol
SMILESCc1cccc(OCc2nc3ccccc3n2CC(O)COc2cc(C)cc(C)c2)c1
InChIInChI=1S/C26H28N2O3/c1-18-7-6-8-22(12-18)31-17-26-27-24-9-4-5-10-25(24)28(26)15-21(29)16-30-23-13-19(2)11-20(3)14-23/h4-14,21,29H,15-17H2,1-3H3
InChIKeyMDZJKSUMOZYJBX-UHFFFAOYSA-N
XLogP4.98
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-(2,3-dimethylphenoxy)-3-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]propan-2-ol
CID 92501255
1-(4-methylphenoxy)-3-[2-(phenoxymethyl)benzimidazol-1-yl]propan-2-ol
CID 43837450
1-[2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]-3-(3,5-dimethylphenoxy)propan-2-ol
CID 156620630
1-(3,5-dimethylphenoxy)-3-[2-(3-hydroxypropyl)benzimidazol-1-yl]propan-2-ol
CID 47557039
1-(4-methoxyphenoxy)-3-[2-(phenoxymethyl)benzimidazol-1-yl]propan-2-ol;hydrochloride
CID 172933925
1-(4-methylphenoxy)-3-[2-[(2,4,6-trimethylphenoxy)methyl]benzimidazol-1-yl]propan-2-ol
CID 156620697
N-[2-[1-[2-hydroxy-3-(3-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 85452280
(2R)-1-(3,5-dimethylphenoxy)-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol
CID 96571408
(2R)-1-(3,4-dimethylphenoxy)-3-[2-(methoxymethyl)benzimidazol-1-yl]propan-2-ol
CID 27408285
1-[2-(3-methylphenoxy)ethyl]-2-[(3-methylphenoxy)methyl]benzimidazole
CID 16997881
1-(4-bromophenoxy)-3-[2-(phenoxymethyl)benzimidazol-1-yl]propan-2-ol;hydrochloride
CID 172933936
1-(4-chloro-3,5-dimethylphenoxy)-3-[2-(methoxymethyl)benzimidazol-1-yl]propan-2-ol
CID 42653343

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenoxy)-3-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]propan-2-ol?
The IUPAC name of 1-(3,5-dimethylphenoxy)-3-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]propan-2-ol (CID 46270267) is 1-(3,5-dimethylphenoxy)-3-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]propan-2-ol.
What is the SMILES notation for 1-(3,5-dimethylphenoxy)-3-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]propan-2-ol?
The canonical SMILES for 1-(3,5-dimethylphenoxy)-3-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]propan-2-ol is Cc1cccc(OCc2nc3ccccc3n2CC(O)COc2cc(C)cc(C)c2)c1.
What is the InChIKey of 1-(3,5-dimethylphenoxy)-3-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]propan-2-ol?
The InChIKey is MDZJKSUMOZYJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3/c1-18-7-6-8-22(12-18)31-17-26-27-24-9-4-5-10-25(24)28(26)15-21(29)16-30-23-13-19(2)11-20(3)14-23/h4-14,21,29H,15-17H2,1-3H3.
What are the key properties of 1-(3,5-dimethylphenoxy)-3-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]propan-2-ol?
1-(3,5-dimethylphenoxy)-3-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]propan-2-ol has a molecular weight of 416.52 g/mol, XLogP of 4.98, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenoxy)-3-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]propan-2-ol is sourced from PubChem (CID 46270267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).