1-(2-tert-butyl-4-methylphenoxy)-3-(2-cyclopentylbenzimidazol-1-yl)propan-2-ol

C26H34N2O2 — CID 138960310

IUPAC1-(2-tert-butyl-4-methylphenoxy)-3-(2-cyclopentylbenzimidazol-1-yl)propan-2-ol
SMILESCc1ccc(OCC(O)Cn2c(C3CCCC3)nc3ccccc32)c(C(C)(C)C)c1
InChIInChI=1S/C26H34N2O2/c1-18-13-14-24(21(15-18)26(2,3)4)30-17-20(29)16-28-23-12-8-7-11-22(23)27-25(28)19-9-5-6-10-19/h7-8,11-15,19-20,29H,5-6,9-10,16-17H2,1-4H3
InChIKeyAWZDQRHNPTVWBV-UHFFFAOYSA-N
MW406.57 g/mol
LogP5.74
Rot. Bonds6

About 1-(2-tert-butyl-4-methylphenoxy)-3-(2-cyclopentylbenzimidazol-1-yl)propan-2-ol

1-(2-tert-butyl-4-methylphenoxy)-3-(2-cyclopentylbenzimidazol-1-yl)propan-2-ol (PubChem CID 138960310) has the molecular formula C26H34N2O2 and a molecular weight of 406.57 g/mol. Its IUPAC name is 1-(2-tert-butyl-4-methylphenoxy)-3-(2-cyclopentylbenzimidazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2-tert-butyl-4-methylphenoxy)-3-(2-cyclopentylbenzimidazol-1-yl)propan-2-ol
PubChem CID138960310
Molecular FormulaC26H34N2O2
Molecular Weight406.57 g/mol
Exact Mass406.26
IUPAC Name1-(2-tert-butyl-4-methylphenoxy)-3-(2-cyclopentylbenzimidazol-1-yl)propan-2-ol
SMILESCc1ccc(OCC(O)Cn2c(C3CCCC3)nc3ccccc32)c(C(C)(C)C)c1
InChIInChI=1S/C26H34N2O2/c1-18-13-14-24(21(15-18)26(2,3)4)30-17-20(29)16-28-23-12-8-7-11-22(23)27-25(28)19-9-5-6-10-19/h7-8,11-15,19-20,29H,5-6,9-10,16-17H2,1-4H3
InChIKeyAWZDQRHNPTVWBV-UHFFFAOYSA-N
XLogP5.74
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.57
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-tert-butyl-4-methylphenoxy)-3-(2-cyclopentylbenzimidazol-1-yl)propan-2-ol;hydrochloride
CID 138960309
(2S)-1-(2-cyclohexylbenzimidazol-1-yl)-3-(2,5-dimethylphenoxy)propan-2-ol
CID 92501278
1-(2-cyclobutylbenzimidazol-1-yl)-3-(2,5-dimethylphenoxy)propan-2-ol;hydrochloride
CID 138961183
1-(2-cyclohexylbenzimidazol-1-yl)-3-(3-methylphenoxy)propan-2-ol;hydrochloride
CID 138960136
1-(2-cyclobutylbenzimidazol-1-yl)-3-(3,5-dimethylphenoxy)propan-2-ol;hydrochloride
CID 138961177
(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-cyclopentylbenzimidazol-1-yl)-3-[(4-methylphenyl)methoxy]propan-2-ol;hydrochloride
CID 138960275
1-(2-butan-2-ylphenoxy)-3-(2-cyclohexylbenzimidazol-1-yl)propan-2-ol;hydrochloride
CID 138960184
1-(2-chloro-4-methylphenoxy)-3-[2-(oxolan-2-yl)benzimidazol-1-yl]propan-2-ol
CID 138960775
(4R)-1-tert-butyl-4-[1-[(2S)-3-(2,5-dimethylphenoxy)-2-hydroxypropyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 27408205
1-(2-cyclopentylbenzimidazol-1-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 138960308

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-4-methylphenoxy)-3-(2-cyclopentylbenzimidazol-1-yl)propan-2-ol?
The IUPAC name of 1-(2-tert-butyl-4-methylphenoxy)-3-(2-cyclopentylbenzimidazol-1-yl)propan-2-ol (CID 138960310) is 1-(2-tert-butyl-4-methylphenoxy)-3-(2-cyclopentylbenzimidazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-(2-tert-butyl-4-methylphenoxy)-3-(2-cyclopentylbenzimidazol-1-yl)propan-2-ol?
The canonical SMILES for 1-(2-tert-butyl-4-methylphenoxy)-3-(2-cyclopentylbenzimidazol-1-yl)propan-2-ol is Cc1ccc(OCC(O)Cn2c(C3CCCC3)nc3ccccc32)c(C(C)(C)C)c1.
What is the InChIKey of 1-(2-tert-butyl-4-methylphenoxy)-3-(2-cyclopentylbenzimidazol-1-yl)propan-2-ol?
The InChIKey is AWZDQRHNPTVWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O2/c1-18-13-14-24(21(15-18)26(2,3)4)30-17-20(29)16-28-23-12-8-7-11-22(23)27-25(28)19-9-5-6-10-19/h7-8,11-15,19-20,29H,5-6,9-10,16-17H2,1-4H3.
What are the key properties of 1-(2-tert-butyl-4-methylphenoxy)-3-(2-cyclopentylbenzimidazol-1-yl)propan-2-ol?
1-(2-tert-butyl-4-methylphenoxy)-3-(2-cyclopentylbenzimidazol-1-yl)propan-2-ol has a molecular weight of 406.57 g/mol, XLogP of 5.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-4-methylphenoxy)-3-(2-cyclopentylbenzimidazol-1-yl)propan-2-ol is sourced from PubChem (CID 138960310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).