Lofemizole

C10H9ClN2 — CID 71967

IUPAC4-(4-chlorophenyl)-5-methyl-1H-imidazole
SMILESCC1=C(N=CN1)C2=CC=C(C=C2)Cl
InChIInChI=1S/C10H9ClN2/c1-7-10(13-6-12-7)8-2-4-9(11)5-3-8/h2-6H,1H3,(H,12,13)
InChIKeyMBKWNJVQSFBLQI-UHFFFAOYSA-N
MW192.64 g/mol
LogP2.80
Rot. Bonds1

About Lofemizole

Lofemizole (PubChem CID 71967) has the molecular formula C10H9ClN2 and a molecular weight of 192.64 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-5-methyl-1H-imidazole.

Molecular Properties

Compound NameLofemizole
PubChem CID71967
Molecular FormulaC10H9ClN2
Molecular Weight192.64 g/mol
Exact Mass192.05
IUPAC Name4-(4-chlorophenyl)-5-methyl-1H-imidazole
SMILESCC1=C(N=CN1)C2=CC=C(C=C2)Cl
InChIInChI=1S/C10H9ClN2/c1-7-10(13-6-12-7)8-2-4-9(11)5-3-8/h2-6H,1H3,(H,12,13)
InChIKeyMBKWNJVQSFBLQI-UHFFFAOYSA-N
XLogP2.80
TPSA28.70 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity166

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.64
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Clobenpropit
CID 2790
4-Phenylimidazole
CID 69590
4-(4-Chlorophenyl)Imidazole
CID 448632
4,5-Diphenylimidazole
CID 69588
4-Chloro-5-(4-methylphenyl)-1H-imidazole-2-carbonitrile
CID 10910992
4-(4-fluorophenyl)-1H-imidazole
CID 657876
2-(4-Chlorophenyl)-4,5-diphenylimidazole
CID 794727
5-(4-fluorophenyl)-1H-imidazol-2-amine
CID 13012252
BU-E 47
CID 14660352
1-(4-Chlorobenzyl)-5-phenyl-1H-imidazole
CID 45103809
Clobenprobit
CID 53321919
5-(4-chlorophenyl)-2-(methylsulfanyl)-1H-imidazole
CID 2743615

Frequently Asked Questions

What is the IUPAC name of Lofemizole?
The IUPAC name of Lofemizole (CID 71967) is 4-(4-chlorophenyl)-5-methyl-1H-imidazole.
What is the SMILES notation for Lofemizole?
The canonical SMILES for Lofemizole is CC1=C(N=CN1)C2=CC=C(C=C2)Cl.
What is the InChIKey of Lofemizole?
The InChIKey is MBKWNJVQSFBLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2/c1-7-10(13-6-12-7)8-2-4-9(11)5-3-8/h2-6H,1H3,(H,12,13).
What are the key properties of Lofemizole?
Lofemizole has a molecular weight of 192.64 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Lofemizole is sourced from PubChem (CID 71967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).