5-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methyl-1H-imidazole

C11H10ClFN2O — CID 67853105

IUPAC5-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methyl-1H-imidazole
SMILESCOc1cc(-c2cnc(C)[nH]2)c(F)cc1Cl
InChIInChI=1S/C11H10ClFN2O/c1-6-14-5-10(15-6)7-3-11(16-2)8(12)4-9(7)13/h3-5H,1-2H3,(H,14,15)
InChIKeySWBWDUPSOHYEOF-UHFFFAOYSA-N
MW240.66 g/mol
LogP3.19
Rot. Bonds2

About 5-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methyl-1H-imidazole

5-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methyl-1H-imidazole (PubChem CID 67853105) has the molecular formula C11H10ClFN2O and a molecular weight of 240.66 g/mol. Its IUPAC name is 5-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methyl-1H-imidazole.

Molecular Properties

Compound Name5-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methyl-1H-imidazole
PubChem CID67853105
Molecular FormulaC11H10ClFN2O
Molecular Weight240.66 g/mol
Exact Mass240.05
IUPAC Name5-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methyl-1H-imidazole
SMILESCOc1cc(-c2cnc(C)[nH]2)c(F)cc1Cl
InChIInChI=1S/C11H10ClFN2O/c1-6-14-5-10(15-6)7-3-11(16-2)8(12)4-9(7)13/h3-5H,1-2H3,(H,14,15)
InChIKeySWBWDUPSOHYEOF-UHFFFAOYSA-N
XLogP3.19
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.66
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-(4-chloro-2-fluoro-5-methoxyphenyl)-3-fluoropyridine
CID 18466521
2-chloro-5-(5-chloro-4-methoxy-2-methylphenyl)-1H-imidazole
CID 116884397
5-(5-chloro-4-methoxy-2-methylphenyl)-2-methoxy-1H-imidazole
CID 116883699
5-(2-fluoro-6-methoxyphenyl)-2-methyl-1H-imidazole
CID 50983015
5-(3-chloro-4-fluorophenyl)-2-methyl-1H-imidazole
CID 116883867
5-(2,5-difluoro-4-methoxyphenyl)-1H-imidazole-2-carbonitrile
CID 116879938
2-[5-(5-chloro-2-methoxy-4-methylphenyl)-1H-imidazol-2-yl]ethanamine
CID 82304273
5-(4-chloro-2-fluoro-5-methoxyphenyl)-4-methyl-1H-pyrazole-3-carbonitrile
CID 11043685
4-(4-chloro-2-fluoro-5-methoxyphenyl)-1-(difluoromethyl)-2-methylimidazole
CID 19959928
1-chloro-5-fluoro-4-iodo-2-methoxybenzene
CID 22625607
4-chloro-2-fluoro-5-methoxyphenol
CID 91801475
4-(4-chloro-2-fluoro-5-methoxyphenyl)-5-ethenyl-6-methoxypyrimidine
CID 71367615

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methyl-1H-imidazole?
The IUPAC name of 5-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methyl-1H-imidazole (CID 67853105) is 5-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methyl-1H-imidazole.
What is the SMILES notation for 5-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methyl-1H-imidazole?
The canonical SMILES for 5-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methyl-1H-imidazole is COc1cc(-c2cnc(C)[nH]2)c(F)cc1Cl.
What is the InChIKey of 5-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methyl-1H-imidazole?
The InChIKey is SWBWDUPSOHYEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2O/c1-6-14-5-10(15-6)7-3-11(16-2)8(12)4-9(7)13/h3-5H,1-2H3,(H,14,15).
What are the key properties of 5-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methyl-1H-imidazole?
5-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methyl-1H-imidazole has a molecular weight of 240.66 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methyl-1H-imidazole is sourced from PubChem (CID 67853105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).