2-[5,6-dichloro-2-(3-methylphenyl)benzimidazol-1-yl]ethanol

C16H14Cl2N2O — CID 94755758

IUPAC2-[5,6-dichloro-2-(3-methylphenyl)benzimidazol-1-yl]ethanol
SMILESCc1cccc(-c2nc3cc(Cl)c(Cl)cc3n2CCO)c1
InChIInChI=1S/C16H14Cl2N2O/c1-10-3-2-4-11(7-10)16-19-14-8-12(17)13(18)9-15(14)20(16)5-6-21/h2-4,7-9,21H,5-6H2,1H3
InChIKeyYRRGNTYKXLKQJI-UHFFFAOYSA-N
MW321.21 g/mol
LogP4.31
Rot. Bonds3

About 2-[5,6-dichloro-2-(3-methylphenyl)benzimidazol-1-yl]ethanol

2-[5,6-dichloro-2-(3-methylphenyl)benzimidazol-1-yl]ethanol (PubChem CID 94755758) has the molecular formula C16H14Cl2N2O and a molecular weight of 321.21 g/mol. Its IUPAC name is 2-[5,6-dichloro-2-(3-methylphenyl)benzimidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5,6-dichloro-2-(3-methylphenyl)benzimidazol-1-yl]ethanol
PubChem CID94755758
Molecular FormulaC16H14Cl2N2O
Molecular Weight321.21 g/mol
Exact Mass320.05
IUPAC Name2-[5,6-dichloro-2-(3-methylphenyl)benzimidazol-1-yl]ethanol
SMILESCc1cccc(-c2nc3cc(Cl)c(Cl)cc3n2CCO)c1
InChIInChI=1S/C16H14Cl2N2O/c1-10-3-2-4-11(7-10)16-19-14-8-12(17)13(18)9-15(14)20(16)5-6-21/h2-4,7-9,21H,5-6H2,1H3
InChIKeyYRRGNTYKXLKQJI-UHFFFAOYSA-N
XLogP4.31
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.21
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5,6-dichloro-2-(3-fluorophenyl)benzimidazol-1-yl]ethanol
CID 82149458
3-[6-chloro-2-(3-methylphenyl)benzimidazol-1-yl]propan-1-ol
CID 46308458
2-[6-chloro-2-(3-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethanol
CID 82150810
2-[4-amino-2-(3-methylphenyl)benzimidazol-1-yl]ethanol
CID 82067826
3-[2-(3-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]propan-1-ol
CID 94756196
2-[6-chloro-2-(4-chlorophenyl)benzimidazol-1-yl]ethanol
CID 10638406
2-(5,6-dichloro-2-pyridin-3-ylbenzimidazol-1-yl)ethanamine
CID 94749231
1-ethyl-2-(3-methylphenyl)benzimidazol-5-amine
CID 82382499
1-[6-chloro-2-(3-methylphenyl)benzimidazol-1-yl]propan-2-ol
CID 46308322
5-chloro-1-(3-ethoxypropyl)-2-(3-methylphenyl)benzimidazole
CID 46308726
2-[2-[5,6-dimethyl-2-(3-methylphenyl)benzimidazol-1-yl]ethoxy]ethanamine
CID 82145196
3-[2-(3-chlorophenyl)benzimidazol-1-yl]propan-1-ol
CID 82149518

Frequently Asked Questions

What is the IUPAC name of 2-[5,6-dichloro-2-(3-methylphenyl)benzimidazol-1-yl]ethanol?
The IUPAC name of 2-[5,6-dichloro-2-(3-methylphenyl)benzimidazol-1-yl]ethanol (CID 94755758) is 2-[5,6-dichloro-2-(3-methylphenyl)benzimidazol-1-yl]ethanol.
What is the SMILES notation for 2-[5,6-dichloro-2-(3-methylphenyl)benzimidazol-1-yl]ethanol?
The canonical SMILES for 2-[5,6-dichloro-2-(3-methylphenyl)benzimidazol-1-yl]ethanol is Cc1cccc(-c2nc3cc(Cl)c(Cl)cc3n2CCO)c1.
What is the InChIKey of 2-[5,6-dichloro-2-(3-methylphenyl)benzimidazol-1-yl]ethanol?
The InChIKey is YRRGNTYKXLKQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O/c1-10-3-2-4-11(7-10)16-19-14-8-12(17)13(18)9-15(14)20(16)5-6-21/h2-4,7-9,21H,5-6H2,1H3.
What are the key properties of 2-[5,6-dichloro-2-(3-methylphenyl)benzimidazol-1-yl]ethanol?
2-[5,6-dichloro-2-(3-methylphenyl)benzimidazol-1-yl]ethanol has a molecular weight of 321.21 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,6-dichloro-2-(3-methylphenyl)benzimidazol-1-yl]ethanol is sourced from PubChem (CID 94755758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).