1-(2-bromophenoxy)-3-[2-(oxan-4-yl)benzimidazol-1-yl]propan-2-ol

C21H23BrN2O3 — CID 138960554

IUPAC1-(2-bromophenoxy)-3-[2-(oxan-4-yl)benzimidazol-1-yl]propan-2-ol
SMILESOC(COc1ccccc1Br)Cn1c(C2CCOCC2)nc2ccccc21
InChIInChI=1S/C21H23BrN2O3/c22-17-5-1-4-8-20(17)27-14-16(25)13-24-19-7-3-2-6-18(19)23-21(24)15-9-11-26-12-10-15/h1-8,15-16,25H,9-14H2
InChIKeyUHGWCZBRQXJYJR-UHFFFAOYSA-N
MW431.33 g/mol
LogP4.13
Rot. Bonds6

About 1-(2-bromophenoxy)-3-[2-(oxan-4-yl)benzimidazol-1-yl]propan-2-ol

1-(2-bromophenoxy)-3-[2-(oxan-4-yl)benzimidazol-1-yl]propan-2-ol (PubChem CID 138960554) has the molecular formula C21H23BrN2O3 and a molecular weight of 431.33 g/mol. Its IUPAC name is 1-(2-bromophenoxy)-3-[2-(oxan-4-yl)benzimidazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(2-bromophenoxy)-3-[2-(oxan-4-yl)benzimidazol-1-yl]propan-2-ol
PubChem CID138960554
Molecular FormulaC21H23BrN2O3
Molecular Weight431.33 g/mol
Exact Mass430.09
IUPAC Name1-(2-bromophenoxy)-3-[2-(oxan-4-yl)benzimidazol-1-yl]propan-2-ol
SMILESOC(COc1ccccc1Br)Cn1c(C2CCOCC2)nc2ccccc21
InChIInChI=1S/C21H23BrN2O3/c22-17-5-1-4-8-20(17)27-14-16(25)13-24-19-7-3-2-6-18(19)23-21(24)15-9-11-26-12-10-15/h1-8,15-16,25H,9-14H2
InChIKeyUHGWCZBRQXJYJR-UHFFFAOYSA-N
XLogP4.13
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.33
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-bromophenoxy)-3-(2-cyclopropylbenzimidazol-1-yl)propan-2-ol
CID 156620542
1-(2-fluorophenoxy)-3-[2-(oxan-4-yl)benzimidazol-1-yl]propan-2-ol;hydrochloride
CID 138960561
1-[2-(oxan-4-yl)benzimidazol-1-yl]-3-(2-prop-2-enylphenoxy)propan-2-ol;hydrochloride
CID 138960595
1-naphthalen-2-yloxy-3-[2-(oxan-4-yl)benzimidazol-1-yl]propan-2-ol
CID 138960604
1-(4-nitrophenoxy)-3-[2-(oxan-4-yl)benzimidazol-1-yl]propan-2-ol
CID 138960584
1-(4-nitrophenoxy)-3-[2-(oxan-4-yl)benzimidazol-1-yl]propan-2-ol;hydrochloride
CID 138960583
1-(2-cyclopentylbenzimidazol-1-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 138960308
1-(4-bromo-2,6-difluorophenoxy)-3-(2-cyclobutylbenzimidazol-1-yl)propan-2-ol
CID 138961224
1-(2-butan-2-ylphenoxy)-3-(2-cyclohexylbenzimidazol-1-yl)propan-2-ol;hydrochloride
CID 138960184
1-(2-bromophenoxy)-3-(2-butan-2-ylbenzimidazol-1-yl)propan-2-ol
CID 138960829
(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

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenoxy)-3-[2-(oxan-4-yl)benzimidazol-1-yl]propan-2-ol?
The IUPAC name of 1-(2-bromophenoxy)-3-[2-(oxan-4-yl)benzimidazol-1-yl]propan-2-ol (CID 138960554) is 1-(2-bromophenoxy)-3-[2-(oxan-4-yl)benzimidazol-1-yl]propan-2-ol.
What is the SMILES notation for 1-(2-bromophenoxy)-3-[2-(oxan-4-yl)benzimidazol-1-yl]propan-2-ol?
The canonical SMILES for 1-(2-bromophenoxy)-3-[2-(oxan-4-yl)benzimidazol-1-yl]propan-2-ol is OC(COc1ccccc1Br)Cn1c(C2CCOCC2)nc2ccccc21.
What is the InChIKey of 1-(2-bromophenoxy)-3-[2-(oxan-4-yl)benzimidazol-1-yl]propan-2-ol?
The InChIKey is UHGWCZBRQXJYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23BrN2O3/c22-17-5-1-4-8-20(17)27-14-16(25)13-24-19-7-3-2-6-18(19)23-21(24)15-9-11-26-12-10-15/h1-8,15-16,25H,9-14H2.
What are the key properties of 1-(2-bromophenoxy)-3-[2-(oxan-4-yl)benzimidazol-1-yl]propan-2-ol?
1-(2-bromophenoxy)-3-[2-(oxan-4-yl)benzimidazol-1-yl]propan-2-ol has a molecular weight of 431.33 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenoxy)-3-[2-(oxan-4-yl)benzimidazol-1-yl]propan-2-ol is sourced from PubChem (CID 138960554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).