1-(2-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)ethanol

C16H15ClN2O — CID 47276894

IUPAC1-(2-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)ethanol
SMILESCc1nc2ccccc2n1CC(O)c1ccccc1Cl
InChIInChI=1S/C16H15ClN2O/c1-11-18-14-8-4-5-9-15(14)19(11)10-16(20)12-6-2-3-7-13(12)17/h2-9,16,20H,10H2,1H3
InChIKeySQGJSJOHPQAKGC-UHFFFAOYSA-N
MW286.76 g/mol
LogP3.73
Rot. Bonds3

About 1-(2-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)ethanol

1-(2-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)ethanol (PubChem CID 47276894) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)ethanol.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)ethanol
PubChem CID47276894
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC Name1-(2-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)ethanol
SMILESCc1nc2ccccc2n1CC(O)c1ccccc1Cl
InChIInChI=1S/C16H15ClN2O/c1-11-18-14-8-4-5-9-15(14)19(11)10-16(20)12-6-2-3-7-13(12)17/h2-9,16,20H,10H2,1H3
InChIKeySQGJSJOHPQAKGC-UHFFFAOYSA-N
XLogP3.73
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(2-chlorophenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanol
CID 94379793
2-(2-methylbenzimidazol-1-yl)ethane-1,1-diol
CID 134100901
(1R)-2-(2-methylbenzimidazol-1-yl)-1-phenylethanol
CID 51517940
2-[1-[2-(2-chlorophenyl)-2-hydroxyethyl]benzimidazol-2-yl]acetamide
CID 110897801
N-[(1S)-1-[1-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]benzimidazol-2-yl]ethyl]acetamide
CID 52515056
(2R)-1-(2-chlorophenoxy)-3-(2-methylbenzimidazol-1-yl)propan-2-ol
CID 877426
[(1S)-1-(2-chlorophenyl)ethyl] 2-(2-methylbenzimidazol-1-yl)acetate
CID 8849826
1-[4-(aminomethyl)phenyl]-2-(2-methylbenzimidazol-1-yl)ethanol
CID 43531451
1-[(2-chlorophenyl)methyl]-2-methylbenzimidazole
CID 709571
2-(benzotriazol-1-yl)-1-(2-chlorophenyl)ethanol
CID 56837220
2-(2-ethylbenzimidazol-1-yl)-1-(2-methylphenyl)ethanol
CID 63105059
3-(ethylamino)-4-(2-methylbenzimidazol-1-yl)butan-1-ol
CID 64897355

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)ethanol?
The IUPAC name of 1-(2-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)ethanol (CID 47276894) is 1-(2-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)ethanol.
What is the SMILES notation for 1-(2-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)ethanol?
The canonical SMILES for 1-(2-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)ethanol is Cc1nc2ccccc2n1CC(O)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)ethanol?
The InChIKey is SQGJSJOHPQAKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O/c1-11-18-14-8-4-5-9-15(14)19(11)10-16(20)12-6-2-3-7-13(12)17/h2-9,16,20H,10H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)ethanol?
1-(2-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)ethanol has a molecular weight of 286.76 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)ethanol is sourced from PubChem (CID 47276894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).