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

C10H11FN2 — CID 10374995

IUPAC2-(2-fluoro-5-methylphenyl)-4,5-dihydro-1H-imidazole
SMILESCc1ccc(F)c(C2=NCCN2)c1
InChIInChI=1S/C10H11FN2/c1-7-2-3-9(11)8(6-7)10-12-4-5-13-10/h2-3,6H,4-5H2,1H3,(H,12,13)
InChIKeyNXWHIOQBGWJKSH-UHFFFAOYSA-N
MW178.21 g/mol
LogP1.48
Rot. Bonds1

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

2-(2-fluoro-5-methylphenyl)-4,5-dihydro-1H-imidazole (PubChem CID 10374995) has the molecular formula C10H11FN2 and a molecular weight of 178.21 g/mol. Its IUPAC name is 2-(2-fluoro-5-methylphenyl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-(2-fluoro-5-methylphenyl)-4,5-dihydro-1H-imidazole
PubChem CID10374995
Molecular FormulaC10H11FN2
Molecular Weight178.21 g/mol
Exact Mass178.09
IUPAC Name2-(2-fluoro-5-methylphenyl)-4,5-dihydro-1H-imidazole
SMILESCc1ccc(F)c(C2=NCCN2)c1
InChIInChI=1S/C10H11FN2/c1-7-2-3-9(11)8(6-7)10-12-4-5-13-10/h2-3,6H,4-5H2,1H3,(H,12,13)
InChIKeyNXWHIOQBGWJKSH-UHFFFAOYSA-N
XLogP1.48
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-5-methylphenyl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-(2-fluoro-5-methylphenyl)-4,5-dihydro-1H-imidazole (CID 10374995) is 2-(2-fluoro-5-methylphenyl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-(2-fluoro-5-methylphenyl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-(2-fluoro-5-methylphenyl)-4,5-dihydro-1H-imidazole is Cc1ccc(F)c(C2=NCCN2)c1.
What is the InChIKey of 2-(2-fluoro-5-methylphenyl)-4,5-dihydro-1H-imidazole?
The InChIKey is NXWHIOQBGWJKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2/c1-7-2-3-9(11)8(6-7)10-12-4-5-13-10/h2-3,6H,4-5H2,1H3,(H,12,13).
What are the key properties of 2-(2-fluoro-5-methylphenyl)-4,5-dihydro-1H-imidazole?
2-(2-fluoro-5-methylphenyl)-4,5-dihydro-1H-imidazole has a molecular weight of 178.21 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-5-methylphenyl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 10374995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).