1-(4-bromo-2,6-difluorophenoxy)-3-(2-cyclobutylbenzimidazol-1-yl)propan-2-ol

C20H19BrF2N2O2 — CID 138961224

IUPAC1-(4-bromo-2,6-difluorophenoxy)-3-(2-cyclobutylbenzimidazol-1-yl)propan-2-ol
SMILESOC(COc1c(F)cc(Br)cc1F)Cn1c(C2CCC2)nc2ccccc21
InChIInChI=1S/C20H19BrF2N2O2/c21-13-8-15(22)19(16(23)9-13)27-11-14(26)10-25-18-7-2-1-6-17(18)24-20(25)12-4-3-5-12/h1-2,6-9,12,14,26H,3-5,10-11H2
InChIKeyIVHVHWMSXRYUJS-UHFFFAOYSA-N
MW437.28 g/mol
LogP4.78
Rot. Bonds6

About 1-(4-bromo-2,6-difluorophenoxy)-3-(2-cyclobutylbenzimidazol-1-yl)propan-2-ol

1-(4-bromo-2,6-difluorophenoxy)-3-(2-cyclobutylbenzimidazol-1-yl)propan-2-ol (PubChem CID 138961224) has the molecular formula C20H19BrF2N2O2 and a molecular weight of 437.28 g/mol. Its IUPAC name is 1-(4-bromo-2,6-difluorophenoxy)-3-(2-cyclobutylbenzimidazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(4-bromo-2,6-difluorophenoxy)-3-(2-cyclobutylbenzimidazol-1-yl)propan-2-ol
PubChem CID138961224
Molecular FormulaC20H19BrF2N2O2
Molecular Weight437.28 g/mol
Exact Mass436.06
IUPAC Name1-(4-bromo-2,6-difluorophenoxy)-3-(2-cyclobutylbenzimidazol-1-yl)propan-2-ol
SMILESOC(COc1c(F)cc(Br)cc1F)Cn1c(C2CCC2)nc2ccccc21
InChIInChI=1S/C20H19BrF2N2O2/c21-13-8-15(22)19(16(23)9-13)27-11-14(26)10-25-18-7-2-1-6-17(18)24-20(25)12-4-3-5-12/h1-2,6-9,12,14,26H,3-5,10-11H2
InChIKeyIVHVHWMSXRYUJS-UHFFFAOYSA-N
XLogP4.78
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.28
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-cyclobutylbenzimidazol-1-yl)-3-(3,5-dimethylphenoxy)propan-2-ol;hydrochloride
CID 138961177
1-(2-bromophenoxy)-3-(2-cyclopropylbenzimidazol-1-yl)propan-2-ol
CID 156620542
1-(2-cyclobutylbenzimidazol-1-yl)-3-(3-methoxyphenoxy)propan-2-ol;hydrochloride
CID 138961191
1-(2-cyclobutylbenzimidazol-1-yl)-3-(2,5-dimethylphenoxy)propan-2-ol;hydrochloride
CID 138961183
1-(2-fluorophenoxy)-3-[2-(oxan-4-yl)benzimidazol-1-yl]propan-2-ol;hydrochloride
CID 138960561
(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-tert-butyl-4-methylphenoxy)-3-(2-cyclopentylbenzimidazol-1-yl)propan-2-ol
CID 138960310
1-(2-cyclohexylbenzimidazol-1-yl)-3-(3-methylphenoxy)propan-2-ol;hydrochloride
CID 138960136
(2S)-1-(2-cyclohexylbenzimidazol-1-yl)-3-(2,5-dimethylphenoxy)propan-2-ol
CID 92501278
1-(2-tert-butyl-4-methylphenoxy)-3-(2-cyclopentylbenzimidazol-1-yl)propan-2-ol;hydrochloride
CID 138960309
1-(2-bromophenoxy)-3-[2-(oxan-4-yl)benzimidazol-1-yl]propan-2-ol
CID 138960554

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,6-difluorophenoxy)-3-(2-cyclobutylbenzimidazol-1-yl)propan-2-ol?
The IUPAC name of 1-(4-bromo-2,6-difluorophenoxy)-3-(2-cyclobutylbenzimidazol-1-yl)propan-2-ol (CID 138961224) is 1-(4-bromo-2,6-difluorophenoxy)-3-(2-cyclobutylbenzimidazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-(4-bromo-2,6-difluorophenoxy)-3-(2-cyclobutylbenzimidazol-1-yl)propan-2-ol?
The canonical SMILES for 1-(4-bromo-2,6-difluorophenoxy)-3-(2-cyclobutylbenzimidazol-1-yl)propan-2-ol is OC(COc1c(F)cc(Br)cc1F)Cn1c(C2CCC2)nc2ccccc21.
What is the InChIKey of 1-(4-bromo-2,6-difluorophenoxy)-3-(2-cyclobutylbenzimidazol-1-yl)propan-2-ol?
The InChIKey is IVHVHWMSXRYUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrF2N2O2/c21-13-8-15(22)19(16(23)9-13)27-11-14(26)10-25-18-7-2-1-6-17(18)24-20(25)12-4-3-5-12/h1-2,6-9,12,14,26H,3-5,10-11H2.
What are the key properties of 1-(4-bromo-2,6-difluorophenoxy)-3-(2-cyclobutylbenzimidazol-1-yl)propan-2-ol?
1-(4-bromo-2,6-difluorophenoxy)-3-(2-cyclobutylbenzimidazol-1-yl)propan-2-ol has a molecular weight of 437.28 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,6-difluorophenoxy)-3-(2-cyclobutylbenzimidazol-1-yl)propan-2-ol is sourced from PubChem (CID 138961224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).