(2R)-1-(2-cyclopropylbenzimidazol-1-yl)-3-(3,4-dimethylphenoxy)propan-2-ol

C21H24N2O2 — CID 27407765

IUPAC(2R)-1-(2-cyclopropylbenzimidazol-1-yl)-3-(3,4-dimethylphenoxy)propan-2-ol
SMILESCc1ccc(OC[C@H](O)Cn2c(C3CC3)nc3ccccc32)cc1C
InChIInChI=1S/C21H24N2O2/c1-14-7-10-18(11-15(14)2)25-13-17(24)12-23-20-6-4-3-5-19(20)22-21(23)16-8-9-16/h3-7,10-11,16-17,24H,8-9,12-13H2,1-2H3/t17-/m1/s1
InChIKeyYVIIIHSXLGCNRY-QGZVFWFLSA-N
MW336.44 g/mol
LogP3.97
Rot. Bonds6

About (2R)-1-(2-cyclopropylbenzimidazol-1-yl)-3-(3,4-dimethylphenoxy)propan-2-ol

(2R)-1-(2-cyclopropylbenzimidazol-1-yl)-3-(3,4-dimethylphenoxy)propan-2-ol (PubChem CID 27407765) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is (2R)-1-(2-cyclopropylbenzimidazol-1-yl)-3-(3,4-dimethylphenoxy)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(2-cyclopropylbenzimidazol-1-yl)-3-(3,4-dimethylphenoxy)propan-2-ol
PubChem CID27407765
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name(2R)-1-(2-cyclopropylbenzimidazol-1-yl)-3-(3,4-dimethylphenoxy)propan-2-ol
SMILESCc1ccc(OC[C@H](O)Cn2c(C3CC3)nc3ccccc32)cc1C
InChIInChI=1S/C21H24N2O2/c1-14-7-10-18(11-15(14)2)25-13-17(24)12-23-20-6-4-3-5-19(20)22-21(23)16-8-9-16/h3-7,10-11,16-17,24H,8-9,12-13H2,1-2H3/t17-/m1/s1
InChIKeyYVIIIHSXLGCNRY-QGZVFWFLSA-N
XLogP3.97
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(2-cyclohexylbenzimidazol-1-yl)-3-(3,4-dimethylphenoxy)propan-2-ol
CID 96571491
1-(2-cyclohexylbenzimidazol-1-yl)-3-(3,4-dimethylphenoxy)propan-2-ol
CID 71296329
1-(2-cyclopropylbenzimidazol-1-yl)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
CID 156620536
1-tert-butyl-4-[1-[3-(3,4-dimethylphenoxy)-2-hydroxypropyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 43841692
(4R)-4-[1-[(2R)-3-(3,4-dimethylphenoxy)-2-hydroxypropyl]benzimidazol-2-yl]-1-phenylpyrrolidin-2-one
CID 27407620
1-(2-cyclobutylbenzimidazol-1-yl)-3-(3,5-dimethylphenoxy)propan-2-ol;hydrochloride
CID 138961177
4-[1-[3-(3,4-dimethylphenoxy)-2-hydroxypropyl]benzimidazol-2-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 43841598
(4S)-1-benzyl-4-[1-[(2R)-3-(3,4-dimethylphenoxy)-2-hydroxypropyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 27408319
(4S)-4-[1-[(2S)-3-(3,4-dimethylphenoxy)-2-hydroxypropyl]benzimidazol-2-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 27407569
1-(2-cyclohexylbenzimidazol-1-yl)-3-(3-methylphenoxy)propan-2-ol;hydrochloride
CID 138960136
(4S)-1-(4-chlorophenyl)-4-[1-[(2S)-3-(3,4-dimethylphenoxy)-2-hydroxypropyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 27408136
1-naphthalen-2-yloxy-3-[2-(oxan-4-yl)benzimidazol-1-yl]propan-2-ol
CID 138960604

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-cyclopropylbenzimidazol-1-yl)-3-(3,4-dimethylphenoxy)propan-2-ol?
The IUPAC name of (2R)-1-(2-cyclopropylbenzimidazol-1-yl)-3-(3,4-dimethylphenoxy)propan-2-ol (CID 27407765) is (2R)-1-(2-cyclopropylbenzimidazol-1-yl)-3-(3,4-dimethylphenoxy)propan-2-ol.
What is the SMILES notation for (2R)-1-(2-cyclopropylbenzimidazol-1-yl)-3-(3,4-dimethylphenoxy)propan-2-ol?
The canonical SMILES for (2R)-1-(2-cyclopropylbenzimidazol-1-yl)-3-(3,4-dimethylphenoxy)propan-2-ol is Cc1ccc(OC[C@H](O)Cn2c(C3CC3)nc3ccccc32)cc1C.
What is the InChIKey of (2R)-1-(2-cyclopropylbenzimidazol-1-yl)-3-(3,4-dimethylphenoxy)propan-2-ol?
The InChIKey is YVIIIHSXLGCNRY-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-14-7-10-18(11-15(14)2)25-13-17(24)12-23-20-6-4-3-5-19(20)22-21(23)16-8-9-16/h3-7,10-11,16-17,24H,8-9,12-13H2,1-2H3/t17-/m1/s1.
What are the key properties of (2R)-1-(2-cyclopropylbenzimidazol-1-yl)-3-(3,4-dimethylphenoxy)propan-2-ol?
(2R)-1-(2-cyclopropylbenzimidazol-1-yl)-3-(3,4-dimethylphenoxy)propan-2-ol has a molecular weight of 336.44 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-cyclopropylbenzimidazol-1-yl)-3-(3,4-dimethylphenoxy)propan-2-ol is sourced from PubChem (CID 27407765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).