1-(3-bromo-4-methylphenyl)-2-(1-methylbenzimidazol-2-yl)ethanol

C17H17BrN2O — CID 115818511

IUPAC1-(3-bromo-4-methylphenyl)-2-(1-methylbenzimidazol-2-yl)ethanol
SMILESCc1ccc(C(O)Cc2nc3ccccc3n2C)cc1Br
InChIInChI=1S/C17H17BrN2O/c1-11-7-8-12(9-13(11)18)16(21)10-17-19-14-5-3-4-6-15(14)20(17)2/h3-9,16,21H,10H2,1-2H3
InChIKeyOMOFJURCIJJMGT-UHFFFAOYSA-N
MW345.24 g/mol
LogP3.92
Rot. Bonds3

About 1-(3-bromo-4-methylphenyl)-2-(1-methylbenzimidazol-2-yl)ethanol

1-(3-bromo-4-methylphenyl)-2-(1-methylbenzimidazol-2-yl)ethanol (PubChem CID 115818511) has the molecular formula C17H17BrN2O and a molecular weight of 345.24 g/mol. Its IUPAC name is 1-(3-bromo-4-methylphenyl)-2-(1-methylbenzimidazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(3-bromo-4-methylphenyl)-2-(1-methylbenzimidazol-2-yl)ethanol
PubChem CID115818511
Molecular FormulaC17H17BrN2O
Molecular Weight345.24 g/mol
Exact Mass344.05
IUPAC Name1-(3-bromo-4-methylphenyl)-2-(1-methylbenzimidazol-2-yl)ethanol
SMILESCc1ccc(C(O)Cc2nc3ccccc3n2C)cc1Br
InChIInChI=1S/C17H17BrN2O/c1-11-7-8-12(9-13(11)18)16(21)10-17-19-14-5-3-4-6-15(14)20(17)2/h3-9,16,21H,10H2,1-2H3
InChIKeyOMOFJURCIJJMGT-UHFFFAOYSA-N
XLogP3.92
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-3-methylphenyl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 115818504
1-(3,4-difluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 79754597
1-(4-bromo-5-methylthiophen-2-yl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 102829570
(1R)-1-[4-(dimethylamino)phenyl]-2-(1-methylbenzimidazol-2-yl)ethanol
CID 702567
1-(furan-3-yl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 79753671
(1R)-1-(4-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 763733
1-(3-bromo-4-chlorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 115566654
1-(4-bromophenyl)-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 79753790
3-methyl-1-(1-methylbenzimidazol-2-yl)butan-2-ol
CID 79753505
1-(2-ethyl-5-methylpyrazol-3-yl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 105111437
1-(1-methylbenzimidazol-2-yl)pentane-2,3-diol
CID 103454668
1-(3-bromo-4-methylphenyl)-2-naphthalen-1-ylethanol
CID 81475739

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methylphenyl)-2-(1-methylbenzimidazol-2-yl)ethanol?
The IUPAC name of 1-(3-bromo-4-methylphenyl)-2-(1-methylbenzimidazol-2-yl)ethanol (CID 115818511) is 1-(3-bromo-4-methylphenyl)-2-(1-methylbenzimidazol-2-yl)ethanol.
What is the SMILES notation for 1-(3-bromo-4-methylphenyl)-2-(1-methylbenzimidazol-2-yl)ethanol?
The canonical SMILES for 1-(3-bromo-4-methylphenyl)-2-(1-methylbenzimidazol-2-yl)ethanol is Cc1ccc(C(O)Cc2nc3ccccc3n2C)cc1Br.
What is the InChIKey of 1-(3-bromo-4-methylphenyl)-2-(1-methylbenzimidazol-2-yl)ethanol?
The InChIKey is OMOFJURCIJJMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O/c1-11-7-8-12(9-13(11)18)16(21)10-17-19-14-5-3-4-6-15(14)20(17)2/h3-9,16,21H,10H2,1-2H3.
What are the key properties of 1-(3-bromo-4-methylphenyl)-2-(1-methylbenzimidazol-2-yl)ethanol?
1-(3-bromo-4-methylphenyl)-2-(1-methylbenzimidazol-2-yl)ethanol has a molecular weight of 345.24 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methylphenyl)-2-(1-methylbenzimidazol-2-yl)ethanol is sourced from PubChem (CID 115818511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).