(2R)-1-(2-methylbenzimidazol-1-yl)-3-(4-methylphenoxy)propan-2-ol

C18H20N2O2 — CID 2062293

IUPAC(2R)-1-(2-methylbenzimidazol-1-yl)-3-(4-methylphenoxy)propan-2-ol
SMILESCc1ccc(OC[C@H](O)Cn2c(C)nc3ccccc32)cc1
InChIInChI=1S/C18H20N2O2/c1-13-7-9-16(10-8-13)22-12-15(21)11-20-14(2)19-17-5-3-4-6-18(17)20/h3-10,15,21H,11-12H2,1-2H3/t15-/m1/s1
InChIKeyUGBRWKNWBZTKQM-OAHLLOKOSA-N
MW296.37 g/mol
LogP3.09
Rot. Bonds5

About (2R)-1-(2-methylbenzimidazol-1-yl)-3-(4-methylphenoxy)propan-2-ol

(2R)-1-(2-methylbenzimidazol-1-yl)-3-(4-methylphenoxy)propan-2-ol (PubChem CID 2062293) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is (2R)-1-(2-methylbenzimidazol-1-yl)-3-(4-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(2-methylbenzimidazol-1-yl)-3-(4-methylphenoxy)propan-2-ol
PubChem CID2062293
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name(2R)-1-(2-methylbenzimidazol-1-yl)-3-(4-methylphenoxy)propan-2-ol
SMILESCc1ccc(OC[C@H](O)Cn2c(C)nc3ccccc32)cc1
InChIInChI=1S/C18H20N2O2/c1-13-7-9-16(10-8-13)22-12-15(21)11-20-14(2)19-17-5-3-4-6-18(17)20/h3-10,15,21H,11-12H2,1-2H3/t15-/m1/s1
InChIKeyUGBRWKNWBZTKQM-OAHLLOKOSA-N
XLogP3.09
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[4-[(2R)-2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]phenoxy]-3-(2-methylbenzimidazol-1-yl)propan-2-ol
CID 1151095
1-(4-methylphenoxy)-3-[2-(phenoxymethyl)benzimidazol-1-yl]propan-2-ol
CID 43837450
(2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-(2-methylbenzimidazol-1-yl)propan-2-ol
CID 7309443
(2R)-1-(2-methoxyphenoxy)-3-(2-methylbenzimidazol-1-yl)propan-2-ol
CID 879417
(2R)-1-(2-chlorophenoxy)-3-(2-methylbenzimidazol-1-yl)propan-2-ol
CID 877426
1-(4-methylphenoxy)-3-[2-[(2,4,6-trimethylphenoxy)methyl]benzimidazol-1-yl]propan-2-ol
CID 156620697
1-(2,3-dimethylphenoxy)-3-(2-methylbenzimidazol-1-yl)propan-2-ol
CID 46270242
1-(2-methylbenzimidazol-1-yl)-3-(4-methyl-2-prop-2-enylphenoxy)propan-2-ol
CID 4105773
N-[4-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]phenyl]-2-(2-methylphenoxy)acetamide
CID 3992919
1-[2-[(2S)-2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]phenyl]ethanone
CID 1090509
2-(2-methylbenzimidazol-1-yl)ethane-1,1-diol
CID 134100901
7-[(2R)-2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]-4-methylchromen-2-one
CID 7421263

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-methylbenzimidazol-1-yl)-3-(4-methylphenoxy)propan-2-ol?
The IUPAC name of (2R)-1-(2-methylbenzimidazol-1-yl)-3-(4-methylphenoxy)propan-2-ol (CID 2062293) is (2R)-1-(2-methylbenzimidazol-1-yl)-3-(4-methylphenoxy)propan-2-ol.
What is the SMILES notation for (2R)-1-(2-methylbenzimidazol-1-yl)-3-(4-methylphenoxy)propan-2-ol?
The canonical SMILES for (2R)-1-(2-methylbenzimidazol-1-yl)-3-(4-methylphenoxy)propan-2-ol is Cc1ccc(OC[C@H](O)Cn2c(C)nc3ccccc32)cc1.
What is the InChIKey of (2R)-1-(2-methylbenzimidazol-1-yl)-3-(4-methylphenoxy)propan-2-ol?
The InChIKey is UGBRWKNWBZTKQM-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-13-7-9-16(10-8-13)22-12-15(21)11-20-14(2)19-17-5-3-4-6-18(17)20/h3-10,15,21H,11-12H2,1-2H3/t15-/m1/s1.
What are the key properties of (2R)-1-(2-methylbenzimidazol-1-yl)-3-(4-methylphenoxy)propan-2-ol?
(2R)-1-(2-methylbenzimidazol-1-yl)-3-(4-methylphenoxy)propan-2-ol has a molecular weight of 296.37 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-methylbenzimidazol-1-yl)-3-(4-methylphenoxy)propan-2-ol is sourced from PubChem (CID 2062293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).