1-(2-propan-2-ylbenzimidazol-1-yl)-3-(4-propylphenoxy)propan-2-ol

C22H28N2O2 — CID 138960942

IUPAC1-(2-propan-2-ylbenzimidazol-1-yl)-3-(4-propylphenoxy)propan-2-ol
SMILESCCCc1ccc(OCC(O)Cn2c(C(C)C)nc3ccccc32)cc1
InChIInChI=1S/C22H28N2O2/c1-4-7-17-10-12-19(13-11-17)26-15-18(25)14-24-21-9-6-5-8-20(21)23-22(24)16(2)3/h5-6,8-13,16,18,25H,4,7,14-15H2,1-3H3
InChIKeyJSFBJIQDSJFYNR-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.55
Rot. Bonds8

About 1-(2-propan-2-ylbenzimidazol-1-yl)-3-(4-propylphenoxy)propan-2-ol

1-(2-propan-2-ylbenzimidazol-1-yl)-3-(4-propylphenoxy)propan-2-ol (PubChem CID 138960942) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 1-(2-propan-2-ylbenzimidazol-1-yl)-3-(4-propylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2-propan-2-ylbenzimidazol-1-yl)-3-(4-propylphenoxy)propan-2-ol
PubChem CID138960942
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name1-(2-propan-2-ylbenzimidazol-1-yl)-3-(4-propylphenoxy)propan-2-ol
SMILESCCCc1ccc(OCC(O)Cn2c(C(C)C)nc3ccccc32)cc1
InChIInChI=1S/C22H28N2O2/c1-4-7-17-10-12-19(13-11-17)26-15-18(25)14-24-21-9-6-5-8-20(21)23-22(24)16(2)3/h5-6,8-13,16,18,25H,4,7,14-15H2,1-3H3
InChIKeyJSFBJIQDSJFYNR-UHFFFAOYSA-N
XLogP4.55
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-naphthalen-2-yloxy-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol
CID 15998647
(2R)-1-(3,5-dimethylphenoxy)-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol
CID 96571408
(2S)-1-[2-[(1R)-1-hydroxyethyl]benzimidazol-1-yl]-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 7425030
(2R)-1-(2-ethylbenzimidazol-1-yl)-3-(4-ethylphenoxy)propan-2-ol
CID 27408227
1-(2-methylphenoxy)-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol;hydrochloride
CID 138960886
(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-[3-(2-butan-2-ylbenzimidazol-1-yl)-2-hydroxypropoxy]phenyl]propan-1-one
CID 138960849
2-propan-2-yl-1-[(4-propoxyphenyl)methyl]benzimidazole
CID 23963358
(2S)-1-(2-ethylbenzimidazol-1-yl)-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 766470
1-[2-[(2S)-2-hydroxy-3-(2-propan-2-ylbenzimidazol-1-yl)propoxy]phenyl]ethanone
CID 1090516
1-(2,5-dimethylphenoxy)-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol
CID 138960897
4-[(2R)-2-hydroxy-3-(2-propylbenzimidazol-1-yl)propoxy]benzoate
CID 7029928

Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-ylbenzimidazol-1-yl)-3-(4-propylphenoxy)propan-2-ol?
The IUPAC name of 1-(2-propan-2-ylbenzimidazol-1-yl)-3-(4-propylphenoxy)propan-2-ol (CID 138960942) is 1-(2-propan-2-ylbenzimidazol-1-yl)-3-(4-propylphenoxy)propan-2-ol.
What is the SMILES notation for 1-(2-propan-2-ylbenzimidazol-1-yl)-3-(4-propylphenoxy)propan-2-ol?
The canonical SMILES for 1-(2-propan-2-ylbenzimidazol-1-yl)-3-(4-propylphenoxy)propan-2-ol is CCCc1ccc(OCC(O)Cn2c(C(C)C)nc3ccccc32)cc1.
What is the InChIKey of 1-(2-propan-2-ylbenzimidazol-1-yl)-3-(4-propylphenoxy)propan-2-ol?
The InChIKey is JSFBJIQDSJFYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-4-7-17-10-12-19(13-11-17)26-15-18(25)14-24-21-9-6-5-8-20(21)23-22(24)16(2)3/h5-6,8-13,16,18,25H,4,7,14-15H2,1-3H3.
What are the key properties of 1-(2-propan-2-ylbenzimidazol-1-yl)-3-(4-propylphenoxy)propan-2-ol?
1-(2-propan-2-ylbenzimidazol-1-yl)-3-(4-propylphenoxy)propan-2-ol has a molecular weight of 352.48 g/mol, XLogP of 4.55, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-ylbenzimidazol-1-yl)-3-(4-propylphenoxy)propan-2-ol is sourced from PubChem (CID 138960942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).