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

C16H19FN2O4 — CID 163338029

IUPACformic acid;trans-(1S,2S)-2-[2-(2-fluoro-6-methoxyphenyl)imidazol-1-yl]cyclopentan-1-ol
SMILESCOc1cccc(F)c1-c1nccn1[C@H]1CCC[C@@H]1O.O=CO
InChIInChI=1S/C15H17FN2O2.CH2O2/c1-20-13-7-2-4-10(16)14(13)15-17-8-9-18(15)11-5-3-6-12(11)19;2-1-3/h2,4,7-9,11-12,19H,3,5-6H2,1H3;1H,(H,2,3)/t11-,12-;/m0./s1
InChIKeyZSDOEPWLOZNYLB-FXMYHANSSA-N
MW322.34 g/mol
LogP2.48
Rot. Bonds3

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

formic acid;trans-(1S,2S)-2-[2-(2-fluoro-6-methoxyphenyl)imidazol-1-yl]cyclopentan-1-ol (PubChem CID 163338029) has the molecular formula C16H19FN2O4 and a molecular weight of 322.34 g/mol. Its IUPAC name is formic acid;trans-(1S,2S)-2-[2-(2-fluoro-6-methoxyphenyl)imidazol-1-yl]cyclopentan-1-ol.

Molecular Properties

Compound Nameformic acid;trans-(1S,2S)-2-[2-(2-fluoro-6-methoxyphenyl)imidazol-1-yl]cyclopentan-1-ol
PubChem CID163338029
Molecular FormulaC16H19FN2O4
Molecular Weight322.34 g/mol
Exact Mass322.13
IUPAC Nameformic acid;trans-(1S,2S)-2-[2-(2-fluoro-6-methoxyphenyl)imidazol-1-yl]cyclopentan-1-ol
SMILESCOc1cccc(F)c1-c1nccn1[C@H]1CCC[C@@H]1O.O=CO
InChIInChI=1S/C15H17FN2O2.CH2O2/c1-20-13-7-2-4-10(16)14(13)15-17-8-9-18(15)11-5-3-6-12(11)19;2-1-3/h2,4,7-9,11-12,19H,3,5-6H2,1H3;1H,(H,2,3)/t11-,12-;/m0./s1
InChIKeyZSDOEPWLOZNYLB-FXMYHANSSA-N
XLogP2.48
TPSA84.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

trans-(1S,2S)-2-[2-(2-fluoro-6-methoxyphenyl)imidazol-1-yl]cyclopentan-1-ol
CID 156585247
1-cyclopropyl-2-(2-fluoro-3-methoxyphenyl)imidazole
CID 155909433
(1S)-2-(2-methylimidazol-1-yl)cyclohexan-1-ol
CID 126846257
5-(2-fluoro-6-methoxyphenyl)-3-methyltriazole-4-carbaldehyde
CID 151511339
4-(2-fluoro-6-methoxyphenyl)-2-[6-[[(1R,2S)-2-hydroxycyclopentyl]amino]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 166452352
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
(3S,3aR,6R,6aR)-3-[2-(8-fluoroquinolin-2-yl)imidazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol;formic acid
CID 166598620
[2-(2-fluoro-6-methoxyphenyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 56701220
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
4-(2-fluoro-6-methoxyphenyl)-3,11λ6-dithia-5-azatricyclo[6.2.1.02,6]undeca-2(6),4-diene 11,11-dioxide
CID 167869303

Frequently Asked Questions

What is the IUPAC name of formic acid;trans-(1S,2S)-2-[2-(2-fluoro-6-methoxyphenyl)imidazol-1-yl]cyclopentan-1-ol?
The IUPAC name of formic acid;trans-(1S,2S)-2-[2-(2-fluoro-6-methoxyphenyl)imidazol-1-yl]cyclopentan-1-ol (CID 163338029) is formic acid;trans-(1S,2S)-2-[2-(2-fluoro-6-methoxyphenyl)imidazol-1-yl]cyclopentan-1-ol.
What is the SMILES notation for formic acid;trans-(1S,2S)-2-[2-(2-fluoro-6-methoxyphenyl)imidazol-1-yl]cyclopentan-1-ol?
The canonical SMILES for formic acid;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.O=CO.
What is the InChIKey of formic acid;trans-(1S,2S)-2-[2-(2-fluoro-6-methoxyphenyl)imidazol-1-yl]cyclopentan-1-ol?
The InChIKey is ZSDOEPWLOZNYLB-FXMYHANSSA-N. The full InChI is InChI=1S/C15H17FN2O2.CH2O2/c1-20-13-7-2-4-10(16)14(13)15-17-8-9-18(15)11-5-3-6-12(11)19;2-1-3/h2,4,7-9,11-12,19H,3,5-6H2,1H3;1H,(H,2,3)/t11-,12-;/m0./s1.
What are the key properties of formic acid;trans-(1S,2S)-2-[2-(2-fluoro-6-methoxyphenyl)imidazol-1-yl]cyclopentan-1-ol?
formic acid;trans-(1S,2S)-2-[2-(2-fluoro-6-methoxyphenyl)imidazol-1-yl]cyclopentan-1-ol has a molecular weight of 322.34 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;trans-(1S,2S)-2-[2-(2-fluoro-6-methoxyphenyl)imidazol-1-yl]cyclopentan-1-ol is sourced from PubChem (CID 163338029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).