(2R)-1-(2-methoxyphenoxy)-3-(2-methylbenzimidazol-1-yl)propan-2-ol

C18H20N2O3 — CID 879417

IUPAC(2R)-1-(2-methoxyphenoxy)-3-(2-methylbenzimidazol-1-yl)propan-2-ol
SMILESCOc1ccccc1OC[C@H](O)Cn1c(C)nc2ccccc21
InChIInChI=1S/C18H20N2O3/c1-13-19-15-7-3-4-8-16(15)20(13)11-14(21)12-23-18-10-6-5-9-17(18)22-2/h3-10,14,21H,11-12H2,1-2H3/t14-/m1/s1
InChIKeyDGAWQMVIFYDDMT-CQSZACIVSA-N
MW312.37 g/mol
LogP2.79
Rot. Bonds6

About (2R)-1-(2-methoxyphenoxy)-3-(2-methylbenzimidazol-1-yl)propan-2-ol

(2R)-1-(2-methoxyphenoxy)-3-(2-methylbenzimidazol-1-yl)propan-2-ol (PubChem CID 879417) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is (2R)-1-(2-methoxyphenoxy)-3-(2-methylbenzimidazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(2-methoxyphenoxy)-3-(2-methylbenzimidazol-1-yl)propan-2-ol
PubChem CID879417
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name(2R)-1-(2-methoxyphenoxy)-3-(2-methylbenzimidazol-1-yl)propan-2-ol
SMILESCOc1ccccc1OC[C@H](O)Cn1c(C)nc2ccccc21
InChIInChI=1S/C18H20N2O3/c1-13-19-15-7-3-4-8-16(15)20(13)11-14(21)12-23-18-10-6-5-9-17(18)22-2/h3-10,14,21H,11-12H2,1-2H3/t14-/m1/s1
InChIKeyDGAWQMVIFYDDMT-CQSZACIVSA-N
XLogP2.79
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-(2-chlorophenoxy)-3-(2-methylbenzimidazol-1-yl)propan-2-ol
CID 877426
1-(2,3-dimethylphenoxy)-3-(2-methylbenzimidazol-1-yl)propan-2-ol
CID 46270242
1-(2-ethylbenzimidazol-1-yl)-3-(2-methoxyphenoxy)propan-2-ol
CID 3144476
(2R)-1-[4-[(2R)-2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]phenoxy]-3-(2-methylbenzimidazol-1-yl)propan-2-ol
CID 1151095
1-[2-[(2S)-2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]phenyl]ethanone
CID 1090509
1-(2-methylbenzimidazol-1-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 3152611
(2R)-1-(2-methylbenzimidazol-1-yl)-3-(4-methylphenoxy)propan-2-ol
CID 2062293
(2S)-1-(benzimidazol-1-yl)-3-(2-methoxyphenoxy)propan-2-ol
CID 879495
1-(2-methylbenzimidazol-1-yl)-3-(4-methyl-2-prop-2-enylphenoxy)propan-2-ol
CID 4105773
2-(2-methylbenzimidazol-1-yl)ethane-1,1-diol
CID 134100901
1-[2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]-3-(2-methoxyphenoxy)propan-2-ol
CID 156620639
1-(2-methylphenoxy)-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol;hydrochloride
CID 138960886

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-methoxyphenoxy)-3-(2-methylbenzimidazol-1-yl)propan-2-ol?
The IUPAC name of (2R)-1-(2-methoxyphenoxy)-3-(2-methylbenzimidazol-1-yl)propan-2-ol (CID 879417) is (2R)-1-(2-methoxyphenoxy)-3-(2-methylbenzimidazol-1-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-(2-methoxyphenoxy)-3-(2-methylbenzimidazol-1-yl)propan-2-ol?
The canonical SMILES for (2R)-1-(2-methoxyphenoxy)-3-(2-methylbenzimidazol-1-yl)propan-2-ol is COc1ccccc1OC[C@H](O)Cn1c(C)nc2ccccc21.
What is the InChIKey of (2R)-1-(2-methoxyphenoxy)-3-(2-methylbenzimidazol-1-yl)propan-2-ol?
The InChIKey is DGAWQMVIFYDDMT-CQSZACIVSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-13-19-15-7-3-4-8-16(15)20(13)11-14(21)12-23-18-10-6-5-9-17(18)22-2/h3-10,14,21H,11-12H2,1-2H3/t14-/m1/s1.
What are the key properties of (2R)-1-(2-methoxyphenoxy)-3-(2-methylbenzimidazol-1-yl)propan-2-ol?
(2R)-1-(2-methoxyphenoxy)-3-(2-methylbenzimidazol-1-yl)propan-2-ol has a molecular weight of 312.37 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-methoxyphenoxy)-3-(2-methylbenzimidazol-1-yl)propan-2-ol is sourced from PubChem (CID 879417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).