1-(4-chloro-3,5-dimethylphenoxy)-3-[2-(methoxymethyl)benzimidazol-1-yl]propan-2-ol

C20H23ClN2O3 — CID 42653343

IUPAC1-(4-chloro-3,5-dimethylphenoxy)-3-[2-(methoxymethyl)benzimidazol-1-yl]propan-2-ol
SMILESCOCc1nc2ccccc2n1CC(O)COc1cc(C)c(Cl)c(C)c1
InChIInChI=1S/C20H23ClN2O3/c1-13-8-16(9-14(2)20(13)21)26-11-15(24)10-23-18-7-5-4-6-17(18)22-19(23)12-25-3/h4-9,15,24H,10-12H2,1-3H3
InChIKeyNRBNOAAFCUBIQX-UHFFFAOYSA-N
MW374.87 g/mol
LogP3.89
Rot. Bonds7

About 1-(4-chloro-3,5-dimethylphenoxy)-3-[2-(methoxymethyl)benzimidazol-1-yl]propan-2-ol

1-(4-chloro-3,5-dimethylphenoxy)-3-[2-(methoxymethyl)benzimidazol-1-yl]propan-2-ol (PubChem CID 42653343) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is 1-(4-chloro-3,5-dimethylphenoxy)-3-[2-(methoxymethyl)benzimidazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(4-chloro-3,5-dimethylphenoxy)-3-[2-(methoxymethyl)benzimidazol-1-yl]propan-2-ol
PubChem CID42653343
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC Name1-(4-chloro-3,5-dimethylphenoxy)-3-[2-(methoxymethyl)benzimidazol-1-yl]propan-2-ol
SMILESCOCc1nc2ccccc2n1CC(O)COc1cc(C)c(Cl)c(C)c1
InChIInChI=1S/C20H23ClN2O3/c1-13-8-16(9-14(2)20(13)21)26-11-15(24)10-23-18-7-5-4-6-17(18)22-19(23)12-25-3/h4-9,15,24H,10-12H2,1-3H3
InChIKeyNRBNOAAFCUBIQX-UHFFFAOYSA-N
XLogP3.89
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-(3,4-dimethylphenoxy)-3-[2-(methoxymethyl)benzimidazol-1-yl]propan-2-ol
CID 27408285
(2R)-1-(4-chloro-3-methylphenoxy)-3-(2-ethylbenzimidazol-1-yl)propan-2-ol
CID 92501230
1-(3,5-dimethylphenoxy)-3-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]propan-2-ol
CID 46270267
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-methoxyphenoxy)-3-[2-(phenoxymethyl)benzimidazol-1-yl]propan-2-ol;hydrochloride
CID 172933925
1-(4-methylphenoxy)-3-[2-(phenoxymethyl)benzimidazol-1-yl]propan-2-ol
CID 43837450
1-[2-[(2,6-dimethylphenoxy)methyl]benzimidazol-1-yl]-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 156620738
1-(3,5-dimethylphenoxy)-3-[2-(3-hydroxypropyl)benzimidazol-1-yl]propan-2-ol
CID 47557039
(2R)-1-(2-benzylbenzimidazol-1-yl)-3-(3,5-dimethoxyphenoxy)propan-2-ol
CID 1090499
(2R)-1-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-3-(4-methoxyphenoxy)propan-2-ol
CID 92727554
1-[2-[(2,6-dimethylphenoxy)methyl]benzimidazol-1-yl]-3-(4-ethylphenoxy)propan-2-ol
CID 156620755

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3,5-dimethylphenoxy)-3-[2-(methoxymethyl)benzimidazol-1-yl]propan-2-ol?
The IUPAC name of 1-(4-chloro-3,5-dimethylphenoxy)-3-[2-(methoxymethyl)benzimidazol-1-yl]propan-2-ol (CID 42653343) is 1-(4-chloro-3,5-dimethylphenoxy)-3-[2-(methoxymethyl)benzimidazol-1-yl]propan-2-ol.
What is the SMILES notation for 1-(4-chloro-3,5-dimethylphenoxy)-3-[2-(methoxymethyl)benzimidazol-1-yl]propan-2-ol?
The canonical SMILES for 1-(4-chloro-3,5-dimethylphenoxy)-3-[2-(methoxymethyl)benzimidazol-1-yl]propan-2-ol is COCc1nc2ccccc2n1CC(O)COc1cc(C)c(Cl)c(C)c1.
What is the InChIKey of 1-(4-chloro-3,5-dimethylphenoxy)-3-[2-(methoxymethyl)benzimidazol-1-yl]propan-2-ol?
The InChIKey is NRBNOAAFCUBIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-13-8-16(9-14(2)20(13)21)26-11-15(24)10-23-18-7-5-4-6-17(18)22-19(23)12-25-3/h4-9,15,24H,10-12H2,1-3H3.
What are the key properties of 1-(4-chloro-3,5-dimethylphenoxy)-3-[2-(methoxymethyl)benzimidazol-1-yl]propan-2-ol?
1-(4-chloro-3,5-dimethylphenoxy)-3-[2-(methoxymethyl)benzimidazol-1-yl]propan-2-ol has a molecular weight of 374.87 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3,5-dimethylphenoxy)-3-[2-(methoxymethyl)benzimidazol-1-yl]propan-2-ol is sourced from PubChem (CID 42653343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).