[5-(5,5-dimethylcyclopenten-1-yl)-1-(2-fluoro-5-methoxyphenyl)imidazol-4-yl]methanol

C18H21FN2O2 — CID 126567428

IUPAC[5-(5,5-dimethylcyclopenten-1-yl)-1-(2-fluoro-5-methoxyphenyl)imidazol-4-yl]methanol
SMILESCOc1ccc(F)c(-n2cnc(CO)c2C2=CCCC2(C)C)c1
InChIInChI=1S/C18H21FN2O2/c1-18(2)8-4-5-13(18)17-15(10-22)20-11-21(17)16-9-12(23-3)6-7-14(16)19/h5-7,9,11,22H,4,8,10H2,1-3H3
InChIKeyBEUKPCFKDIDDMY-UHFFFAOYSA-N
MW316.38 g/mol
LogP3.72
Rot. Bonds4

About [5-(5,5-dimethylcyclopenten-1-yl)-1-(2-fluoro-5-methoxyphenyl)imidazol-4-yl]methanol

[5-(5,5-dimethylcyclopenten-1-yl)-1-(2-fluoro-5-methoxyphenyl)imidazol-4-yl]methanol (PubChem CID 126567428) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is [5-(5,5-dimethylcyclopenten-1-yl)-1-(2-fluoro-5-methoxyphenyl)imidazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(5,5-dimethylcyclopenten-1-yl)-1-(2-fluoro-5-methoxyphenyl)imidazol-4-yl]methanol
PubChem CID126567428
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name[5-(5,5-dimethylcyclopenten-1-yl)-1-(2-fluoro-5-methoxyphenyl)imidazol-4-yl]methanol
SMILESCOc1ccc(F)c(-n2cnc(CO)c2C2=CCCC2(C)C)c1
InChIInChI=1S/C18H21FN2O2/c1-18(2)8-4-5-13(18)17-15(10-22)20-11-21(17)16-9-12(23-3)6-7-14(16)19/h5-7,9,11,22H,4,8,10H2,1-3H3
InChIKeyBEUKPCFKDIDDMY-UHFFFAOYSA-N
XLogP3.72
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(bromomethyl)-5-(5,5-dimethylcyclopenten-1-yl)-1-(2-fluoro-5-methoxyphenyl)pyrazole
CID 126567352
ethyl 5-(5,5-dimethylcyclopenten-1-yl)-1-(2-fluoro-5-methoxyphenyl)pyrazole-4-carboxylate
CID 126567514
2-[4-(bromomethyl)-2-(5,5-dimethylcyclopenten-1-yl)phenyl]-1-fluoro-4-methoxybenzene;[3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol
CID 158825208
(3S)-3-cyclopropyl-3-[3-[[5-(5,5-dimethylcyclopenten-1-yl)-1-(2-fluoro-5-methoxyphenyl)pyrazol-4-yl]methoxy]phenyl]propanoic acid
CID 126567407
1-(2-fluoro-5-methoxyphenyl)imidazol-2-amine
CID 106576957
4-(5,5-dimethylcyclopenten-1-yl)-3-(2-fluoro-5-methoxyphenyl)-1,2-oxazole-5-carbaldehyde
CID 126567459
3-[1-(2-fluoro-5-methoxyphenyl)triazol-4-yl]propan-1-ol
CID 113374476
2-[3-(2-fluoro-5-methoxyphenyl)imidazol-4-yl]propan-2-amine
CID 114706711
1-(2-fluoro-5-methoxyphenyl)-4,4-dimethylcyclohexan-1-ol
CID 171366570
1-(2-fluoro-5-methoxyphenyl)-4-methylimidazol-2-amine
CID 106577006
cyclopropane;3-[3-[[3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]phenyl]propanoic acid
CID 143789011
3-[3-[[3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]phenyl]-2-methylpropanoic acid
CID 68755829

Frequently Asked Questions

What is the IUPAC name of [5-(5,5-dimethylcyclopenten-1-yl)-1-(2-fluoro-5-methoxyphenyl)imidazol-4-yl]methanol?
The IUPAC name of [5-(5,5-dimethylcyclopenten-1-yl)-1-(2-fluoro-5-methoxyphenyl)imidazol-4-yl]methanol (CID 126567428) is [5-(5,5-dimethylcyclopenten-1-yl)-1-(2-fluoro-5-methoxyphenyl)imidazol-4-yl]methanol.
What is the SMILES notation for [5-(5,5-dimethylcyclopenten-1-yl)-1-(2-fluoro-5-methoxyphenyl)imidazol-4-yl]methanol?
The canonical SMILES for [5-(5,5-dimethylcyclopenten-1-yl)-1-(2-fluoro-5-methoxyphenyl)imidazol-4-yl]methanol is COc1ccc(F)c(-n2cnc(CO)c2C2=CCCC2(C)C)c1.
What is the InChIKey of [5-(5,5-dimethylcyclopenten-1-yl)-1-(2-fluoro-5-methoxyphenyl)imidazol-4-yl]methanol?
The InChIKey is BEUKPCFKDIDDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-18(2)8-4-5-13(18)17-15(10-22)20-11-21(17)16-9-12(23-3)6-7-14(16)19/h5-7,9,11,22H,4,8,10H2,1-3H3.
What are the key properties of [5-(5,5-dimethylcyclopenten-1-yl)-1-(2-fluoro-5-methoxyphenyl)imidazol-4-yl]methanol?
[5-(5,5-dimethylcyclopenten-1-yl)-1-(2-fluoro-5-methoxyphenyl)imidazol-4-yl]methanol has a molecular weight of 316.38 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5,5-dimethylcyclopenten-1-yl)-1-(2-fluoro-5-methoxyphenyl)imidazol-4-yl]methanol is sourced from PubChem (CID 126567428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).