(1R)-1-[2-(5,6-dimethylbenzimidazol-1-yl)-5-fluorophenyl]ethanol

C17H17FN2O — CID 63372224

IUPAC(1R)-1-[2-(5,6-dimethylbenzimidazol-1-yl)-5-fluorophenyl]ethanol
SMILESCc1cc2ncn(-c3ccc(F)cc3[C@@H](C)O)c2cc1C
InChIInChI=1S/C17H17FN2O/c1-10-6-15-17(7-11(10)2)20(9-19-15)16-5-4-13(18)8-14(16)12(3)21/h4-9,12,21H,1-3H3/t12-/m1/s1
InChIKeyLJIMHBHKDYZYOW-GFCCVEGCSA-N
MW284.33 g/mol
LogP3.83
Rot. Bonds2

About (1R)-1-[2-(5,6-dimethylbenzimidazol-1-yl)-5-fluorophenyl]ethanol

(1R)-1-[2-(5,6-dimethylbenzimidazol-1-yl)-5-fluorophenyl]ethanol (PubChem CID 63372224) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is (1R)-1-[2-(5,6-dimethylbenzimidazol-1-yl)-5-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-(5,6-dimethylbenzimidazol-1-yl)-5-fluorophenyl]ethanol
PubChem CID63372224
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name(1R)-1-[2-(5,6-dimethylbenzimidazol-1-yl)-5-fluorophenyl]ethanol
SMILESCc1cc2ncn(-c3ccc(F)cc3[C@@H](C)O)c2cc1C
InChIInChI=1S/C17H17FN2O/c1-10-6-15-17(7-11(10)2)20(9-19-15)16-5-4-13(18)8-14(16)12(3)21/h4-9,12,21H,1-3H3/t12-/m1/s1
InChIKeyLJIMHBHKDYZYOW-GFCCVEGCSA-N
XLogP3.83
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5,6-dimethylbenzimidazol-1-yl)-5-fluorobenzonitrile
CID 63667851
3-(difluoromethyl)-4-(5,6-dimethylbenzimidazol-1-yl)aniline
CID 63735663
(1R)-1-[5-fluoro-2-(3-methylpyrazol-1-yl)phenyl]ethanol
CID 63372283
(1S)-1-[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]ethanol
CID 55184508
(1R)-1-[5-fluoro-2-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethanol
CID 78941320
4-(5,6-dimethylbenzimidazol-1-yl)-3-fluorobenzonitrile
CID 43657383
1-(5-fluoropyrimidin-2-yl)-5,6-dimethylbenzimidazole
CID 134862242
(1S)-1-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]ethanol
CID 78941337
(1S)-1-[2-(benzimidazol-1-yl)phenyl]ethanol
CID 78941271
1-[3,5-bis(5,6-dimethylbenzimidazol-1-yl)-2,4,6-trimethylphenyl]-5,6-dimethylbenzimidazole
CID 122202423
1-(4-bromo-2-nitrophenyl)-5,6-dimethylbenzimidazole
CID 60646142
4-bromo-2-(5,6-dimethylbenzimidazol-1-yl)-5-fluoroaniline
CID 116736349

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(5,6-dimethylbenzimidazol-1-yl)-5-fluorophenyl]ethanol?
The IUPAC name of (1R)-1-[2-(5,6-dimethylbenzimidazol-1-yl)-5-fluorophenyl]ethanol (CID 63372224) is (1R)-1-[2-(5,6-dimethylbenzimidazol-1-yl)-5-fluorophenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-(5,6-dimethylbenzimidazol-1-yl)-5-fluorophenyl]ethanol?
The canonical SMILES for (1R)-1-[2-(5,6-dimethylbenzimidazol-1-yl)-5-fluorophenyl]ethanol is Cc1cc2ncn(-c3ccc(F)cc3[C@@H](C)O)c2cc1C.
What is the InChIKey of (1R)-1-[2-(5,6-dimethylbenzimidazol-1-yl)-5-fluorophenyl]ethanol?
The InChIKey is LJIMHBHKDYZYOW-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H17FN2O/c1-10-6-15-17(7-11(10)2)20(9-19-15)16-5-4-13(18)8-14(16)12(3)21/h4-9,12,21H,1-3H3/t12-/m1/s1.
What are the key properties of (1R)-1-[2-(5,6-dimethylbenzimidazol-1-yl)-5-fluorophenyl]ethanol?
(1R)-1-[2-(5,6-dimethylbenzimidazol-1-yl)-5-fluorophenyl]ethanol has a molecular weight of 284.33 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(5,6-dimethylbenzimidazol-1-yl)-5-fluorophenyl]ethanol is sourced from PubChem (CID 63372224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).