2-(1-ethylbenzimidazol-2-yl)-1-(4-fluorophenyl)ethanol

C17H17FN2O — CID 79754584

IUPAC2-(1-ethylbenzimidazol-2-yl)-1-(4-fluorophenyl)ethanol
SMILESCCn1c(CC(O)c2ccc(F)cc2)nc2ccccc21
InChIInChI=1S/C17H17FN2O/c1-2-20-15-6-4-3-5-14(15)19-17(20)11-16(21)12-7-9-13(18)10-8-12/h3-10,16,21H,2,11H2,1H3
InChIKeyBXAJFPPDMPVAKY-UHFFFAOYSA-N
MW284.33 g/mol
LogP3.47
Rot. Bonds4

About 2-(1-ethylbenzimidazol-2-yl)-1-(4-fluorophenyl)ethanol

2-(1-ethylbenzimidazol-2-yl)-1-(4-fluorophenyl)ethanol (PubChem CID 79754584) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is 2-(1-ethylbenzimidazol-2-yl)-1-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-(1-ethylbenzimidazol-2-yl)-1-(4-fluorophenyl)ethanol
PubChem CID79754584
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name2-(1-ethylbenzimidazol-2-yl)-1-(4-fluorophenyl)ethanol
SMILESCCn1c(CC(O)c2ccc(F)cc2)nc2ccccc21
InChIInChI=1S/C17H17FN2O/c1-2-20-15-6-4-3-5-14(15)19-17(20)11-16(21)12-7-9-13(18)10-8-12/h3-10,16,21H,2,11H2,1H3
InChIKeyBXAJFPPDMPVAKY-UHFFFAOYSA-N
XLogP3.47
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-ethylbenzimidazol-2-yl)-1-(4-iodophenyl)ethanol
CID 115818620
1-(1-ethylbenzimidazol-2-yl)propan-2-ol
CID 79753828
2-(1-ethylbenzimidazol-2-yl)-1-(3-iodophenyl)ethanol
CID 115818522
2-(1-ethylbenzimidazol-2-yl)-1-(1-methylpyrazol-4-yl)ethanol
CID 79753821
2-(1-ethylbenzimidazol-2-yl)-1-(5-methylfuran-3-yl)ethanol
CID 115818572
2-(1-ethylbenzimidazol-2-yl)-1-(2-methyl-4-pyridinyl)ethanol
CID 106756272
2-(1-ethylbenzimidazol-2-yl)-1-(5-methyl-3-pyridinyl)ethanol
CID 105111618
3-ethyl-1-(1-ethylbenzimidazol-2-yl)-3-methoxypentan-2-ol
CID 116752874
2-(1-ethylbenzimidazol-2-yl)-1-(2-methylpyrimidin-4-yl)ethanol
CID 115527844
1,1-diethoxy-3-(1-ethylbenzimidazol-2-yl)propan-2-ol
CID 79756098
1-(5-chloro-1,3-thiazol-2-yl)-2-(1-ethylbenzimidazol-2-yl)ethanol
CID 107125122
1-(3,4-difluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 79754597

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylbenzimidazol-2-yl)-1-(4-fluorophenyl)ethanol?
The IUPAC name of 2-(1-ethylbenzimidazol-2-yl)-1-(4-fluorophenyl)ethanol (CID 79754584) is 2-(1-ethylbenzimidazol-2-yl)-1-(4-fluorophenyl)ethanol.
What is the SMILES notation for 2-(1-ethylbenzimidazol-2-yl)-1-(4-fluorophenyl)ethanol?
The canonical SMILES for 2-(1-ethylbenzimidazol-2-yl)-1-(4-fluorophenyl)ethanol is CCn1c(CC(O)c2ccc(F)cc2)nc2ccccc21.
What is the InChIKey of 2-(1-ethylbenzimidazol-2-yl)-1-(4-fluorophenyl)ethanol?
The InChIKey is BXAJFPPDMPVAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c1-2-20-15-6-4-3-5-14(15)19-17(20)11-16(21)12-7-9-13(18)10-8-12/h3-10,16,21H,2,11H2,1H3.
What are the key properties of 2-(1-ethylbenzimidazol-2-yl)-1-(4-fluorophenyl)ethanol?
2-(1-ethylbenzimidazol-2-yl)-1-(4-fluorophenyl)ethanol has a molecular weight of 284.33 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylbenzimidazol-2-yl)-1-(4-fluorophenyl)ethanol is sourced from PubChem (CID 79754584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).