1-(2-bromophenoxy)-3-(2-butan-2-ylbenzimidazol-1-yl)propan-2-ol

C20H23BrN2O2 — CID 138960829

IUPAC1-(2-bromophenoxy)-3-(2-butan-2-ylbenzimidazol-1-yl)propan-2-ol
SMILESCCC(C)c1nc2ccccc2n1CC(O)COc1ccccc1Br
InChIInChI=1S/C20H23BrN2O2/c1-3-14(2)20-22-17-9-5-6-10-18(17)23(20)12-15(24)13-25-19-11-7-4-8-16(19)21/h4-11,14-15,24H,3,12-13H2,1-2H3
InChIKeyLDSXMKXUKCSKTN-UHFFFAOYSA-N
MW403.32 g/mol
LogP4.75
Rot. Bonds7

About 1-(2-bromophenoxy)-3-(2-butan-2-ylbenzimidazol-1-yl)propan-2-ol

1-(2-bromophenoxy)-3-(2-butan-2-ylbenzimidazol-1-yl)propan-2-ol (PubChem CID 138960829) has the molecular formula C20H23BrN2O2 and a molecular weight of 403.32 g/mol. Its IUPAC name is 1-(2-bromophenoxy)-3-(2-butan-2-ylbenzimidazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2-bromophenoxy)-3-(2-butan-2-ylbenzimidazol-1-yl)propan-2-ol
PubChem CID138960829
Molecular FormulaC20H23BrN2O2
Molecular Weight403.32 g/mol
Exact Mass402.09
IUPAC Name1-(2-bromophenoxy)-3-(2-butan-2-ylbenzimidazol-1-yl)propan-2-ol
SMILESCCC(C)c1nc2ccccc2n1CC(O)COc1ccccc1Br
InChIInChI=1S/C20H23BrN2O2/c1-3-14(2)20-22-17-9-5-6-10-18(17)23(20)12-15(24)13-25-19-11-7-4-8-16(19)21/h4-11,14-15,24H,3,12-13H2,1-2H3
InChIKeyLDSXMKXUKCSKTN-UHFFFAOYSA-N
XLogP4.75
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.32
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-butan-2-ylbenzimidazol-1-yl)-3-(4-chloro-2-methylphenoxy)propan-2-ol
CID 138960841
1-[4-[3-(2-butan-2-ylbenzimidazol-1-yl)-2-hydroxypropoxy]phenyl]propan-1-one
CID 138960849
1-(2-bromophenoxy)-3-(2-cyclopropylbenzimidazol-1-yl)propan-2-ol
CID 156620542
1-(2-butan-2-ylbenzimidazol-1-yl)-3-(2-tert-butyl-4-methoxyphenoxy)propan-2-ol;hydrochloride
CID 138960820
1-(2-methylphenoxy)-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol;hydrochloride
CID 138960886
1-(2-butan-2-ylbenzimidazol-1-yl)-3-[(4-methylphenyl)methoxy]propan-2-ol
CID 138960839
1-[2-[(2S)-2-hydroxy-3-(2-propan-2-ylbenzimidazol-1-yl)propoxy]phenyl]ethanone
CID 1090516
1-(2-bromophenoxy)-3-[2-(oxan-4-yl)benzimidazol-1-yl]propan-2-ol
CID 138960554
1-(2-ethylbenzimidazol-1-yl)-3-(2-methoxyphenoxy)propan-2-ol
CID 3144476
1-(2-chloro-4-methylphenoxy)-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol
CID 138960959
1-(2-propan-2-ylbenzimidazol-1-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 44884546
1-(2,5-dimethylphenoxy)-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol
CID 138960897

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenoxy)-3-(2-butan-2-ylbenzimidazol-1-yl)propan-2-ol?
The IUPAC name of 1-(2-bromophenoxy)-3-(2-butan-2-ylbenzimidazol-1-yl)propan-2-ol (CID 138960829) is 1-(2-bromophenoxy)-3-(2-butan-2-ylbenzimidazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-(2-bromophenoxy)-3-(2-butan-2-ylbenzimidazol-1-yl)propan-2-ol?
The canonical SMILES for 1-(2-bromophenoxy)-3-(2-butan-2-ylbenzimidazol-1-yl)propan-2-ol is CCC(C)c1nc2ccccc2n1CC(O)COc1ccccc1Br.
What is the InChIKey of 1-(2-bromophenoxy)-3-(2-butan-2-ylbenzimidazol-1-yl)propan-2-ol?
The InChIKey is LDSXMKXUKCSKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O2/c1-3-14(2)20-22-17-9-5-6-10-18(17)23(20)12-15(24)13-25-19-11-7-4-8-16(19)21/h4-11,14-15,24H,3,12-13H2,1-2H3.
What are the key properties of 1-(2-bromophenoxy)-3-(2-butan-2-ylbenzimidazol-1-yl)propan-2-ol?
1-(2-bromophenoxy)-3-(2-butan-2-ylbenzimidazol-1-yl)propan-2-ol has a molecular weight of 403.32 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenoxy)-3-(2-butan-2-ylbenzimidazol-1-yl)propan-2-ol is sourced from PubChem (CID 138960829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).