(2R)-1-(5,6-dimethylbenzimidazol-1-yl)-3-(4-methoxyphenoxy)propan-2-ol

C19H22N2O3 — CID 742001

IUPAC(2R)-1-(5,6-dimethylbenzimidazol-1-yl)-3-(4-methoxyphenoxy)propan-2-ol
SMILESCOc1ccc(OC[C@H](O)Cn2cnc3cc(C)c(C)cc32)cc1
InChIInChI=1S/C19H22N2O3/c1-13-8-18-19(9-14(13)2)21(12-20-18)10-15(22)11-24-17-6-4-16(23-3)5-7-17/h4-9,12,15,22H,10-11H2,1-3H3/t15-/m1/s1
InChIKeyGCXUJTLOSQKPCE-OAHLLOKOSA-N
MW326.40 g/mol
LogP3.10
Rot. Bonds6

About (2R)-1-(5,6-dimethylbenzimidazol-1-yl)-3-(4-methoxyphenoxy)propan-2-ol

(2R)-1-(5,6-dimethylbenzimidazol-1-yl)-3-(4-methoxyphenoxy)propan-2-ol (PubChem CID 742001) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is (2R)-1-(5,6-dimethylbenzimidazol-1-yl)-3-(4-methoxyphenoxy)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(5,6-dimethylbenzimidazol-1-yl)-3-(4-methoxyphenoxy)propan-2-ol
PubChem CID742001
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name(2R)-1-(5,6-dimethylbenzimidazol-1-yl)-3-(4-methoxyphenoxy)propan-2-ol
SMILESCOc1ccc(OC[C@H](O)Cn2cnc3cc(C)c(C)cc32)cc1
InChIInChI=1S/C19H22N2O3/c1-13-8-18-19(9-14(13)2)21(12-20-18)10-15(22)11-24-17-6-4-16(23-3)5-7-17/h4-9,12,15,22H,10-11H2,1-3H3/t15-/m1/s1
InChIKeyGCXUJTLOSQKPCE-OAHLLOKOSA-N
XLogP3.10
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropoxy]benzonitrile
CID 18087059
1-[4-[3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropoxy]phenyl]ethanone
CID 17472921
1-[4-[(2R)-3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropoxy]phenyl]propan-1-one
CID 25352629
4-[3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropoxy]benzamide
CID 109415206
(2S)-1-(5,6-dimethylbenzimidazol-1-yl)-3-(2,6-dimethylphenoxy)propan-2-ol
CID 766433
(2R)-1-(1,3-benzodioxol-5-yloxy)-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol
CID 52501696
3-[(2R)-3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropoxy]benzoic acid
CID 1120298
(2R)-1-(2,4-dichlorophenoxy)-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol
CID 51873051
1-(5,6-dimethylbenzimidazol-1-yl)-3-(5-methylcyclohepta-1,4,6-trien-1-yl)oxypropan-2-ol
CID 143201272
1-(5,6-dimethylbenzimidazol-1-yl)-3-[(2-fluorophenyl)methoxy]propan-2-ol
CID 18087060
ethyl 4-(5,6-dimethylbenzimidazol-1-yl)-3-hydroxybutanoate
CID 82775981
[(2S)-1-(4-bromophenoxy)-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-yl] acetate
CID 2197322

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(5,6-dimethylbenzimidazol-1-yl)-3-(4-methoxyphenoxy)propan-2-ol?
The IUPAC name of (2R)-1-(5,6-dimethylbenzimidazol-1-yl)-3-(4-methoxyphenoxy)propan-2-ol (CID 742001) is (2R)-1-(5,6-dimethylbenzimidazol-1-yl)-3-(4-methoxyphenoxy)propan-2-ol.
What is the SMILES notation for (2R)-1-(5,6-dimethylbenzimidazol-1-yl)-3-(4-methoxyphenoxy)propan-2-ol?
The canonical SMILES for (2R)-1-(5,6-dimethylbenzimidazol-1-yl)-3-(4-methoxyphenoxy)propan-2-ol is COc1ccc(OC[C@H](O)Cn2cnc3cc(C)c(C)cc32)cc1.
What is the InChIKey of (2R)-1-(5,6-dimethylbenzimidazol-1-yl)-3-(4-methoxyphenoxy)propan-2-ol?
The InChIKey is GCXUJTLOSQKPCE-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-13-8-18-19(9-14(13)2)21(12-20-18)10-15(22)11-24-17-6-4-16(23-3)5-7-17/h4-9,12,15,22H,10-11H2,1-3H3/t15-/m1/s1.
What are the key properties of (2R)-1-(5,6-dimethylbenzimidazol-1-yl)-3-(4-methoxyphenoxy)propan-2-ol?
(2R)-1-(5,6-dimethylbenzimidazol-1-yl)-3-(4-methoxyphenoxy)propan-2-ol has a molecular weight of 326.40 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(5,6-dimethylbenzimidazol-1-yl)-3-(4-methoxyphenoxy)propan-2-ol is sourced from PubChem (CID 742001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).