trans-(1S,2S)-2-[2-(2-fluoro-6-methoxyphenyl)imidazol-1-yl]cyclopentan-1-ol

C15H17FN2O2 — CID 156585247

IUPACtrans-(1S,2S)-2-[2-(2-fluoro-6-methoxyphenyl)imidazol-1-yl]cyclopentan-1-ol
SMILESCOc1cccc(F)c1-c1nccn1[C@H]1CCC[C@@H]1O
InChIInChI=1S/C15H17FN2O2/c1-20-13-7-2-4-10(16)14(13)15-17-8-9-18(15)11-5-3-6-12(11)19/h2,4,7-9,11-12,19H,3,5-6H2,1H3/t11-,12-/m0/s1
InChIKeyGJHFAWYNAIYABS-RYUDHWBXSA-N
MW276.31 g/mol
LogP2.78
Rot. Bonds3

About trans-(1S,2S)-2-[2-(2-fluoro-6-methoxyphenyl)imidazol-1-yl]cyclopentan-1-ol

trans-(1S,2S)-2-[2-(2-fluoro-6-methoxyphenyl)imidazol-1-yl]cyclopentan-1-ol (PubChem CID 156585247) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is trans-(1S,2S)-2-[2-(2-fluoro-6-methoxyphenyl)imidazol-1-yl]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[2-(2-fluoro-6-methoxyphenyl)imidazol-1-yl]cyclopentan-1-ol
PubChem CID156585247
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Nametrans-(1S,2S)-2-[2-(2-fluoro-6-methoxyphenyl)imidazol-1-yl]cyclopentan-1-ol
SMILESCOc1cccc(F)c1-c1nccn1[C@H]1CCC[C@@H]1O
InChIInChI=1S/C15H17FN2O2/c1-20-13-7-2-4-10(16)14(13)15-17-8-9-18(15)11-5-3-6-12(11)19/h2,4,7-9,11-12,19H,3,5-6H2,1H3/t11-,12-/m0/s1
InChIKeyGJHFAWYNAIYABS-RYUDHWBXSA-N
XLogP2.78
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

formic acid;trans-(1S,2S)-2-[2-(2-fluoro-6-methoxyphenyl)imidazol-1-yl]cyclopentan-1-ol
CID 163338029
1-cyclopropyl-2-(2-fluoro-3-methoxyphenyl)imidazole
CID 155909433
(1S)-2-(2-methylimidazol-1-yl)cyclohexan-1-ol
CID 126846257
trans-(1R,2R)-2-(2-pyridin-3-ylimidazol-1-yl)cyclohexan-1-ol
CID 133264534
(3R,4S)-4-[2-(2,6-difluorophenyl)imidazol-1-yl]-3-methylpiperidine
CID 146044197
2-(2-fluoro-6-methoxyphenyl)pyridine
CID 66942163
(3S,4S)-4-[2-(2,7-dimethoxynaphthalen-1-yl)imidazol-1-yl]piperidin-3-ol;dihydrochloride
CID 163334075
[2-(2-fluoro-6-methoxyphenyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 56701220
2-(2-fluoro-6-methoxyphenyl)-1,4,5,6-tetrahydropyrimidine
CID 82241523
4-(2-fluoro-6-methoxyphenyl)-2-[6-[[(1R,2S)-2-hydroxycyclopentyl]amino]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 166452352
2-cyclopropyl-1-fluoro-3-methoxybenzene
CID 144811064
2-(2,6-dimethoxyphenyl)-1-(5-fluoro-2-methylphenyl)imidazole
CID 56745803

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[2-(2-fluoro-6-methoxyphenyl)imidazol-1-yl]cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[2-(2-fluoro-6-methoxyphenyl)imidazol-1-yl]cyclopentan-1-ol (CID 156585247) is trans-(1S,2S)-2-[2-(2-fluoro-6-methoxyphenyl)imidazol-1-yl]cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[2-(2-fluoro-6-methoxyphenyl)imidazol-1-yl]cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[2-(2-fluoro-6-methoxyphenyl)imidazol-1-yl]cyclopentan-1-ol is COc1cccc(F)c1-c1nccn1[C@H]1CCC[C@@H]1O.
What is the InChIKey of trans-(1S,2S)-2-[2-(2-fluoro-6-methoxyphenyl)imidazol-1-yl]cyclopentan-1-ol?
The InChIKey is GJHFAWYNAIYABS-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-20-13-7-2-4-10(16)14(13)15-17-8-9-18(15)11-5-3-6-12(11)19/h2,4,7-9,11-12,19H,3,5-6H2,1H3/t11-,12-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[2-(2-fluoro-6-methoxyphenyl)imidazol-1-yl]cyclopentan-1-ol?
trans-(1S,2S)-2-[2-(2-fluoro-6-methoxyphenyl)imidazol-1-yl]cyclopentan-1-ol has a molecular weight of 276.31 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[2-(2-fluoro-6-methoxyphenyl)imidazol-1-yl]cyclopentan-1-ol is sourced from PubChem (CID 156585247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).