1-cyclopropyl-2-(2-fluoro-3-methoxyphenyl)imidazole

C13H13FN2O — CID 155909433

IUPAC1-cyclopropyl-2-(2-fluoro-3-methoxyphenyl)imidazole
SMILESCOc1cccc(-c2nccn2C2CC2)c1F
InChIInChI=1S/C13H13FN2O/c1-17-11-4-2-3-10(12(11)14)13-15-7-8-16(13)9-5-6-9/h2-4,7-9H,5-6H2,1H3
InChIKeySXNWEYLJRJPCAY-UHFFFAOYSA-N
MW232.26 g/mol
LogP3.03
Rot. Bonds3

About 1-cyclopropyl-2-(2-fluoro-3-methoxyphenyl)imidazole

1-cyclopropyl-2-(2-fluoro-3-methoxyphenyl)imidazole (PubChem CID 155909433) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is 1-cyclopropyl-2-(2-fluoro-3-methoxyphenyl)imidazole.

Molecular Properties

Compound Name1-cyclopropyl-2-(2-fluoro-3-methoxyphenyl)imidazole
PubChem CID155909433
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC Name1-cyclopropyl-2-(2-fluoro-3-methoxyphenyl)imidazole
SMILESCOc1cccc(-c2nccn2C2CC2)c1F
InChIInChI=1S/C13H13FN2O/c1-17-11-4-2-3-10(12(11)14)13-15-7-8-16(13)9-5-6-9/h2-4,7-9H,5-6H2,1H3
InChIKeySXNWEYLJRJPCAY-UHFFFAOYSA-N
XLogP3.03
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(2,3,4-trimethoxyphenyl)imidazol-1-yl]thiane 1,1-dioxide
CID 154567633
4-[2-(2-fluorophenyl)imidazol-1-yl]thiane 1,1-dioxide
CID 154821323
trans-(1S,2S)-2-[2-(2-fluoro-6-methoxyphenyl)imidazol-1-yl]cyclopentan-1-ol
CID 156585247
4-[2-(2,3,4-trifluorophenyl)imidazol-1-yl]piperidine
CID 82559295
4-(2-fluoro-3-methoxyphenyl)pyrimidin-2-amine
CID 82812333
formic acid;trans-(1S,2S)-2-[2-(2-fluoro-6-methoxyphenyl)imidazol-1-yl]cyclopentan-1-ol
CID 163338029
4-(2-naphthalen-1-ylimidazol-1-yl)thiane 1,1-dioxide
CID 154563991
2-[2-[1-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)imidazol-2-yl]phenoxy]ethanol
CID 154816099
1-cyclopentyl-N-(2-methoxyphenyl)imidazol-2-amine
CID 106555719
5-fluoro-2-(2-fluoro-3-methoxyphenyl)pyridine
CID 50961650
2-methoxy-5-[1-(4-methoxycyclohexyl)imidazol-2-yl]pyridine
CID 165419000
(2R,4R)-4-[2-(2-fluoro-5-methoxyphenyl)imidazol-1-yl]-2-methylpiperidine
CID 146039198

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(2-fluoro-3-methoxyphenyl)imidazole?
The IUPAC name of 1-cyclopropyl-2-(2-fluoro-3-methoxyphenyl)imidazole (CID 155909433) is 1-cyclopropyl-2-(2-fluoro-3-methoxyphenyl)imidazole.
What is the SMILES notation for 1-cyclopropyl-2-(2-fluoro-3-methoxyphenyl)imidazole?
The canonical SMILES for 1-cyclopropyl-2-(2-fluoro-3-methoxyphenyl)imidazole is COc1cccc(-c2nccn2C2CC2)c1F.
What is the InChIKey of 1-cyclopropyl-2-(2-fluoro-3-methoxyphenyl)imidazole?
The InChIKey is SXNWEYLJRJPCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O/c1-17-11-4-2-3-10(12(11)14)13-15-7-8-16(13)9-5-6-9/h2-4,7-9H,5-6H2,1H3.
What are the key properties of 1-cyclopropyl-2-(2-fluoro-3-methoxyphenyl)imidazole?
1-cyclopropyl-2-(2-fluoro-3-methoxyphenyl)imidazole has a molecular weight of 232.26 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(2-fluoro-3-methoxyphenyl)imidazole is sourced from PubChem (CID 155909433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).