(2S)-1-(2-cyclohexylbenzimidazol-1-yl)-3-(2,5-dimethylphenoxy)propan-2-ol

C24H30N2O2 — CID 92501278

IUPAC(2S)-1-(2-cyclohexylbenzimidazol-1-yl)-3-(2,5-dimethylphenoxy)propan-2-ol
SMILESCc1ccc(C)c(OC[C@@H](O)Cn2c(C3CCCCC3)nc3ccccc32)c1
InChIInChI=1S/C24H30N2O2/c1-17-12-13-18(2)23(14-17)28-16-20(27)15-26-22-11-7-6-10-21(22)25-24(26)19-8-4-3-5-9-19/h6-7,10-14,19-20,27H,3-5,8-9,15-16H2,1-2H3/t20-/m0/s1
InChIKeyGFZADLBIHDHCEV-FQEVSTJZSA-N
MW378.52 g/mol
LogP5.14
Rot. Bonds6

About (2S)-1-(2-cyclohexylbenzimidazol-1-yl)-3-(2,5-dimethylphenoxy)propan-2-ol

(2S)-1-(2-cyclohexylbenzimidazol-1-yl)-3-(2,5-dimethylphenoxy)propan-2-ol (PubChem CID 92501278) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is (2S)-1-(2-cyclohexylbenzimidazol-1-yl)-3-(2,5-dimethylphenoxy)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(2-cyclohexylbenzimidazol-1-yl)-3-(2,5-dimethylphenoxy)propan-2-ol
PubChem CID92501278
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name(2S)-1-(2-cyclohexylbenzimidazol-1-yl)-3-(2,5-dimethylphenoxy)propan-2-ol
SMILESCc1ccc(C)c(OC[C@@H](O)Cn2c(C3CCCCC3)nc3ccccc32)c1
InChIInChI=1S/C24H30N2O2/c1-17-12-13-18(2)23(14-17)28-16-20(27)15-26-22-11-7-6-10-21(22)25-24(26)19-8-4-3-5-9-19/h6-7,10-14,19-20,27H,3-5,8-9,15-16H2,1-2H3/t20-/m0/s1
InChIKeyGFZADLBIHDHCEV-FQEVSTJZSA-N
XLogP5.14
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.52
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-cyclobutylbenzimidazol-1-yl)-3-(2,5-dimethylphenoxy)propan-2-ol;hydrochloride
CID 138961183
1-(2-tert-butyl-4-methylphenoxy)-3-(2-cyclopentylbenzimidazol-1-yl)propan-2-ol
CID 138960310
1-(2-tert-butyl-4-methylphenoxy)-3-(2-cyclopentylbenzimidazol-1-yl)propan-2-ol;hydrochloride
CID 138960309
(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-(2,5-dimethylphenoxy)-3-[2-(oxolan-2-yl)benzimidazol-1-yl]propan-2-ol;hydrochloride
CID 138960703
1-(2-cyclohexylbenzimidazol-1-yl)-3-(3-methylphenoxy)propan-2-ol;hydrochloride
CID 138960136
(4R)-1-tert-butyl-4-[1-[(2S)-3-(2,5-dimethylphenoxy)-2-hydroxypropyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 27408205
(4R)-4-[1-[(2S)-3-(2,5-dimethylphenoxy)-2-hydroxypropyl]benzimidazol-2-yl]-1-phenylpyrrolidin-2-one
CID 92902148
1-(2-cyclobutylbenzimidazol-1-yl)-3-(3,5-dimethylphenoxy)propan-2-ol;hydrochloride
CID 138961177
(4R)-4-[1-[(2S)-3-(2,5-dimethylphenoxy)-2-hydroxypropyl]benzimidazol-2-yl]-1-prop-2-enylpyrrolidin-2-one
CID 27408154
(2R)-1-(2-cyclopropylbenzimidazol-1-yl)-3-(3,4-dimethylphenoxy)propan-2-ol
CID 27407765

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-cyclohexylbenzimidazol-1-yl)-3-(2,5-dimethylphenoxy)propan-2-ol?
The IUPAC name of (2S)-1-(2-cyclohexylbenzimidazol-1-yl)-3-(2,5-dimethylphenoxy)propan-2-ol (CID 92501278) is (2S)-1-(2-cyclohexylbenzimidazol-1-yl)-3-(2,5-dimethylphenoxy)propan-2-ol.
What is the SMILES notation for (2S)-1-(2-cyclohexylbenzimidazol-1-yl)-3-(2,5-dimethylphenoxy)propan-2-ol?
The canonical SMILES for (2S)-1-(2-cyclohexylbenzimidazol-1-yl)-3-(2,5-dimethylphenoxy)propan-2-ol is Cc1ccc(C)c(OC[C@@H](O)Cn2c(C3CCCCC3)nc3ccccc32)c1.
What is the InChIKey of (2S)-1-(2-cyclohexylbenzimidazol-1-yl)-3-(2,5-dimethylphenoxy)propan-2-ol?
The InChIKey is GFZADLBIHDHCEV-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-17-12-13-18(2)23(14-17)28-16-20(27)15-26-22-11-7-6-10-21(22)25-24(26)19-8-4-3-5-9-19/h6-7,10-14,19-20,27H,3-5,8-9,15-16H2,1-2H3/t20-/m0/s1.
What are the key properties of (2S)-1-(2-cyclohexylbenzimidazol-1-yl)-3-(2,5-dimethylphenoxy)propan-2-ol?
(2S)-1-(2-cyclohexylbenzimidazol-1-yl)-3-(2,5-dimethylphenoxy)propan-2-ol has a molecular weight of 378.52 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-cyclohexylbenzimidazol-1-yl)-3-(2,5-dimethylphenoxy)propan-2-ol is sourced from PubChem (CID 92501278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).