2-(6-chloro-2-fluoro-3-methoxyphenyl)-1H-imidazole

C10H8ClFN2O — CID 56710210

IUPAC2-(6-chloro-2-fluoro-3-methoxyphenyl)-1H-imidazole
SMILESCOc1ccc(Cl)c(-c2ncc[nH]2)c1F
InChIInChI=1S/C10H8ClFN2O/c1-15-7-3-2-6(11)8(9(7)12)10-13-4-5-14-10/h2-5H,1H3,(H,13,14)
InChIKeyIOIMZLWRPYAMPV-UHFFFAOYSA-N
MW226.64 g/mol
LogP2.88
Rot. Bonds2

About 2-(6-chloro-2-fluoro-3-methoxyphenyl)-1H-imidazole

2-(6-chloro-2-fluoro-3-methoxyphenyl)-1H-imidazole (PubChem CID 56710210) has the molecular formula C10H8ClFN2O and a molecular weight of 226.64 g/mol. Its IUPAC name is 2-(6-chloro-2-fluoro-3-methoxyphenyl)-1H-imidazole.

Molecular Properties

Compound Name2-(6-chloro-2-fluoro-3-methoxyphenyl)-1H-imidazole
PubChem CID56710210
Molecular FormulaC10H8ClFN2O
Molecular Weight226.64 g/mol
Exact Mass226.03
IUPAC Name2-(6-chloro-2-fluoro-3-methoxyphenyl)-1H-imidazole
SMILESCOc1ccc(Cl)c(-c2ncc[nH]2)c1F
InChIInChI=1S/C10H8ClFN2O/c1-15-7-3-2-6(11)8(9(7)12)10-13-4-5-14-10/h2-5H,1H3,(H,13,14)
InChIKeyIOIMZLWRPYAMPV-UHFFFAOYSA-N
XLogP2.88
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.64
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-fluoro-3-methoxyphenyl)-1H-imidazole?
The IUPAC name of 2-(6-chloro-2-fluoro-3-methoxyphenyl)-1H-imidazole (CID 56710210) is 2-(6-chloro-2-fluoro-3-methoxyphenyl)-1H-imidazole.
What is the SMILES notation for 2-(6-chloro-2-fluoro-3-methoxyphenyl)-1H-imidazole?
The canonical SMILES for 2-(6-chloro-2-fluoro-3-methoxyphenyl)-1H-imidazole is COc1ccc(Cl)c(-c2ncc[nH]2)c1F.
What is the InChIKey of 2-(6-chloro-2-fluoro-3-methoxyphenyl)-1H-imidazole?
The InChIKey is IOIMZLWRPYAMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2O/c1-15-7-3-2-6(11)8(9(7)12)10-13-4-5-14-10/h2-5H,1H3,(H,13,14).
What are the key properties of 2-(6-chloro-2-fluoro-3-methoxyphenyl)-1H-imidazole?
2-(6-chloro-2-fluoro-3-methoxyphenyl)-1H-imidazole has a molecular weight of 226.64 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-fluoro-3-methoxyphenyl)-1H-imidazole is sourced from PubChem (CID 56710210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).