5-chloro-1-ethyl-2-(4-methylphenyl)imidazole

C12H13ClN2 — CID 117259483

IUPAC5-chloro-1-ethyl-2-(4-methylphenyl)imidazole
SMILESCCn1c(Cl)cnc1-c1ccc(C)cc1
InChIInChI=1S/C12H13ClN2/c1-3-15-11(13)8-14-12(15)10-6-4-9(2)5-7-10/h4-8H,3H2,1-2H3
InChIKeyUIRDPZAEJZVOPM-UHFFFAOYSA-N
MW220.70 g/mol
LogP3.53
Rot. Bonds2

About 5-chloro-1-ethyl-2-(4-methylphenyl)imidazole

5-chloro-1-ethyl-2-(4-methylphenyl)imidazole (PubChem CID 117259483) has the molecular formula C12H13ClN2 and a molecular weight of 220.70 g/mol. Its IUPAC name is 5-chloro-1-ethyl-2-(4-methylphenyl)imidazole.

Molecular Properties

Compound Name5-chloro-1-ethyl-2-(4-methylphenyl)imidazole
PubChem CID117259483
Molecular FormulaC12H13ClN2
Molecular Weight220.70 g/mol
Exact Mass220.08
IUPAC Name5-chloro-1-ethyl-2-(4-methylphenyl)imidazole
SMILESCCn1c(Cl)cnc1-c1ccc(C)cc1
InChIInChI=1S/C12H13ClN2/c1-3-15-11(13)8-14-12(15)10-6-4-9(2)5-7-10/h4-8H,3H2,1-2H3
InChIKeyUIRDPZAEJZVOPM-UHFFFAOYSA-N
XLogP3.53
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(5-chloro-1-ethylimidazol-2-yl)phenol
CID 137000636
5-chloro-2-(5-chlorothiophen-2-yl)-1-ethylimidazole
CID 117259368
5-chloro-2-(5-chlorofuran-2-yl)-1-ethylimidazole
CID 117259364
5-chloro-1-ethylimidazol-2-amine
CID 117260387
1-butyl-5-chloro-2-methylimidazole
CID 123569144
5-bromo-1-ethyl-2-[4-(trifluoromethyl)phenyl]imidazole
CID 117259482
3-(chloromethyl)-5-(4-chlorophenyl)-4-ethyl-1,2,4-triazole
CID 115398022
5-amino-3-ethyl-2-phenylpyrimidin-4-one
CID 142150643
1-(5-chloro-1-ethylimidazol-2-yl)-4-methylpiperazine
CID 117260402
1-ethyl-5-ethylsulfanyl-2-phenylimidazole;hydron;chloride
CID 2999095
1-methyl-2,5-bis(4-methylphenyl)imidazole
CID 138756997
5-(4-bromophenyl)-2-chloro-1-ethylimidazole
CID 117260161

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-ethyl-2-(4-methylphenyl)imidazole?
The IUPAC name of 5-chloro-1-ethyl-2-(4-methylphenyl)imidazole (CID 117259483) is 5-chloro-1-ethyl-2-(4-methylphenyl)imidazole.
What is the SMILES notation for 5-chloro-1-ethyl-2-(4-methylphenyl)imidazole?
The canonical SMILES for 5-chloro-1-ethyl-2-(4-methylphenyl)imidazole is CCn1c(Cl)cnc1-c1ccc(C)cc1.
What is the InChIKey of 5-chloro-1-ethyl-2-(4-methylphenyl)imidazole?
The InChIKey is UIRDPZAEJZVOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2/c1-3-15-11(13)8-14-12(15)10-6-4-9(2)5-7-10/h4-8H,3H2,1-2H3.
What are the key properties of 5-chloro-1-ethyl-2-(4-methylphenyl)imidazole?
5-chloro-1-ethyl-2-(4-methylphenyl)imidazole has a molecular weight of 220.70 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-ethyl-2-(4-methylphenyl)imidazole is sourced from PubChem (CID 117259483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).