1-(1-ethyl-5-methylbenzimidazol-2-yl)-1-(4-fluorophenyl)ethanol

C18H19FN2O — CID 167614234

IUPAC1-(1-ethyl-5-methylbenzimidazol-2-yl)-1-(4-fluorophenyl)ethanol
SMILESCCn1c(C(C)(O)c2ccc(F)cc2)nc2cc(C)ccc21
InChIInChI=1S/C18H19FN2O/c1-4-21-16-10-5-12(2)11-15(16)20-17(21)18(3,22)13-6-8-14(19)9-7-13/h5-11,22H,4H2,1-3H3
InChIKeyLMSLMVVBRPJCOO-UHFFFAOYSA-N
MW298.36 g/mol
LogP3.76
Rot. Bonds3

About 1-(1-ethyl-5-methylbenzimidazol-2-yl)-1-(4-fluorophenyl)ethanol

1-(1-ethyl-5-methylbenzimidazol-2-yl)-1-(4-fluorophenyl)ethanol (PubChem CID 167614234) has the molecular formula C18H19FN2O and a molecular weight of 298.36 g/mol. Its IUPAC name is 1-(1-ethyl-5-methylbenzimidazol-2-yl)-1-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(1-ethyl-5-methylbenzimidazol-2-yl)-1-(4-fluorophenyl)ethanol
PubChem CID167614234
Molecular FormulaC18H19FN2O
Molecular Weight298.36 g/mol
Exact Mass298.15
IUPAC Name1-(1-ethyl-5-methylbenzimidazol-2-yl)-1-(4-fluorophenyl)ethanol
SMILESCCn1c(C(C)(O)c2ccc(F)cc2)nc2cc(C)ccc21
InChIInChI=1S/C18H19FN2O/c1-4-21-16-10-5-12(2)11-15(16)20-17(21)18(3,22)13-6-8-14(19)9-7-13/h5-11,22H,4H2,1-3H3
InChIKeyLMSLMVVBRPJCOO-UHFFFAOYSA-N
XLogP3.76
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-methylpropan-1-amine
CID 113307952
3-(1-ethyl-5-fluorobenzimidazol-2-yl)-3-methylbutan-1-amine
CID 114285540
2-bromo-1-ethyl-5-methylbenzimidazole
CID 84799459
2-(1-ethyl-5-methylbenzimidazol-2-yl)-3-fluorophenol
CID 136678120
1-ethyl-6-methylbenzimidazole;1-(1-ethyl-6-methylbenzimidazol-2-yl)-2,2,2-trifluoro-1-(4-fluorophenyl)ethanol;2,2,2-trifluoro-1-(4-fluorophenyl)ethanone
CID 167617368
2-(chloromethyl)-1-(2,2-dimethylpropyl)-5-methylbenzimidazole
CID 61167651
(1-ethyl-5-fluorobenzimidazol-2-yl)methanol
CID 63756217
2-(2-chloroethyl)-1-ethyl-5-methylbenzimidazole
CID 43666424
1-[2-(4-fluorophenyl)ethyl]-5-methylbenzimidazol-2-amine
CID 43661501
N-[1-ethyl-5-(trifluoromethyl)benzimidazol-2-yl]-4-fluorobenzamide
CID 90719945
1-amino-1-(1-ethyl-5-methylbenzimidazol-2-yl)propan-2-ol
CID 60785614
1-[ethyl-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]amino]-2-methylpropan-2-ol
CID 111334193

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-5-methylbenzimidazol-2-yl)-1-(4-fluorophenyl)ethanol?
The IUPAC name of 1-(1-ethyl-5-methylbenzimidazol-2-yl)-1-(4-fluorophenyl)ethanol (CID 167614234) is 1-(1-ethyl-5-methylbenzimidazol-2-yl)-1-(4-fluorophenyl)ethanol.
What is the SMILES notation for 1-(1-ethyl-5-methylbenzimidazol-2-yl)-1-(4-fluorophenyl)ethanol?
The canonical SMILES for 1-(1-ethyl-5-methylbenzimidazol-2-yl)-1-(4-fluorophenyl)ethanol is CCn1c(C(C)(O)c2ccc(F)cc2)nc2cc(C)ccc21.
What is the InChIKey of 1-(1-ethyl-5-methylbenzimidazol-2-yl)-1-(4-fluorophenyl)ethanol?
The InChIKey is LMSLMVVBRPJCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O/c1-4-21-16-10-5-12(2)11-15(16)20-17(21)18(3,22)13-6-8-14(19)9-7-13/h5-11,22H,4H2,1-3H3.
What are the key properties of 1-(1-ethyl-5-methylbenzimidazol-2-yl)-1-(4-fluorophenyl)ethanol?
1-(1-ethyl-5-methylbenzimidazol-2-yl)-1-(4-fluorophenyl)ethanol has a molecular weight of 298.36 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-5-methylbenzimidazol-2-yl)-1-(4-fluorophenyl)ethanol is sourced from PubChem (CID 167614234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).