1-(3-chloro-2-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanol

C16H14ClFN2O — CID 79756071

IUPAC1-(3-chloro-2-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanol
SMILESCn1c(CC(O)c2cccc(Cl)c2F)nc2ccccc21
InChIInChI=1S/C16H14ClFN2O/c1-20-13-8-3-2-7-12(13)19-15(20)9-14(21)10-5-4-6-11(17)16(10)18/h2-8,14,21H,9H2,1H3
InChIKeySQBKRHUBJYPKKV-UHFFFAOYSA-N
MW304.75 g/mol
LogP3.64
Rot. Bonds3

About 1-(3-chloro-2-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanol

1-(3-chloro-2-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanol (PubChem CID 79756071) has the molecular formula C16H14ClFN2O and a molecular weight of 304.75 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanol
PubChem CID79756071
Molecular FormulaC16H14ClFN2O
Molecular Weight304.75 g/mol
Exact Mass304.08
IUPAC Name1-(3-chloro-2-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanol
SMILESCn1c(CC(O)c2cccc(Cl)c2F)nc2ccccc21
InChIInChI=1S/C16H14ClFN2O/c1-20-13-8-3-2-7-12(13)19-15(20)9-14(21)10-5-4-6-11(17)16(10)18/h2-8,14,21H,9H2,1H3
InChIKeySQBKRHUBJYPKKV-UHFFFAOYSA-N
XLogP3.64
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.75
LogP ≤ 53.64
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-(2-amino-5-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 82682714
(1R)-1-(2,3-dimethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 680857
1-(3,4-difluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 79754597
1-chloro-1,1-difluoro-3-(1-methylbenzimidazol-2-yl)propan-2-ol
CID 112575265
3-methyl-1-(1-methylbenzimidazol-2-yl)butan-2-ol
CID 79753505
1-(3-chloro-2-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethanol
CID 82869875
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-(1-methylbenzimidazol-2-yl)pentane-2,3-diol
CID 103454668
1-(3-methoxy-4-pyridinyl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 105066358
(1R)-1-[4-(dimethylamino)phenyl]-2-(1-methylbenzimidazol-2-yl)ethanol
CID 702567

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanol?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanol (CID 79756071) is 1-(3-chloro-2-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanol.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanol?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanol is Cn1c(CC(O)c2cccc(Cl)c2F)nc2ccccc21.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanol?
The InChIKey is SQBKRHUBJYPKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2O/c1-20-13-8-3-2-7-12(13)19-15(20)9-14(21)10-5-4-6-11(17)16(10)18/h2-8,14,21H,9H2,1H3.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanol?
1-(3-chloro-2-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanol has a molecular weight of 304.75 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanol is sourced from PubChem (CID 79756071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).