2-(3-fluoro-4-methoxyphenyl)-4,5-dihydro-1H-imidazole

C10H11FN2O — CID 82241112

IUPAC2-(3-fluoro-4-methoxyphenyl)-4,5-dihydro-1H-imidazole
SMILESCOc1ccc(C2=NCCN2)cc1F
InChIInChI=1S/C10H11FN2O/c1-14-9-3-2-7(6-8(9)11)10-12-4-5-13-10/h2-3,6H,4-5H2,1H3,(H,12,13)
InChIKeyODHAOKLLJXVXED-UHFFFAOYSA-N
MW194.21 g/mol
LogP1.18
Rot. Bonds2

About 2-(3-fluoro-4-methoxyphenyl)-4,5-dihydro-1H-imidazole

2-(3-fluoro-4-methoxyphenyl)-4,5-dihydro-1H-imidazole (PubChem CID 82241112) has the molecular formula C10H11FN2O and a molecular weight of 194.21 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)-4,5-dihydro-1H-imidazole
PubChem CID82241112
Molecular FormulaC10H11FN2O
Molecular Weight194.21 g/mol
Exact Mass194.09
IUPAC Name2-(3-fluoro-4-methoxyphenyl)-4,5-dihydro-1H-imidazole
SMILESCOc1ccc(C2=NCCN2)cc1F
InChIInChI=1S/C10H11FN2O/c1-14-9-3-2-7(6-8(9)11)10-12-4-5-13-10/h2-3,6H,4-5H2,1H3,(H,12,13)
InChIKeyODHAOKLLJXVXED-UHFFFAOYSA-N
XLogP1.18
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-4,5-dihydro-1H-imidazole (CID 82241112) is 2-(3-fluoro-4-methoxyphenyl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)-4,5-dihydro-1H-imidazole is COc1ccc(C2=NCCN2)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)-4,5-dihydro-1H-imidazole?
The InChIKey is ODHAOKLLJXVXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O/c1-14-9-3-2-7(6-8(9)11)10-12-4-5-13-10/h2-3,6H,4-5H2,1H3,(H,12,13).
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)-4,5-dihydro-1H-imidazole?
2-(3-fluoro-4-methoxyphenyl)-4,5-dihydro-1H-imidazole has a molecular weight of 194.21 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 82241112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).