1-ethyl-4-(3-methylphenyl)imidazole

C12H14N2 — CID 174530735

IUPAC1-ethyl-4-(3-methylphenyl)imidazole
SMILESCCn1cnc(-c2cccc(C)c2)c1
InChIInChI=1S/C12H14N2/c1-3-14-8-12(13-9-14)11-6-4-5-10(2)7-11/h4-9H,3H2,1-2H3
InChIKeyNDALCWDWRJYFJZ-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.88
Rot. Bonds2

About 1-ethyl-4-(3-methylphenyl)imidazole

1-ethyl-4-(3-methylphenyl)imidazole (PubChem CID 174530735) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 1-ethyl-4-(3-methylphenyl)imidazole.

Molecular Properties

Compound Name1-ethyl-4-(3-methylphenyl)imidazole
PubChem CID174530735
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name1-ethyl-4-(3-methylphenyl)imidazole
SMILESCCn1cnc(-c2cccc(C)c2)c1
InChIInChI=1S/C12H14N2/c1-3-14-8-12(13-9-14)11-6-4-5-10(2)7-11/h4-9H,3H2,1-2H3
InChIKeyNDALCWDWRJYFJZ-UHFFFAOYSA-N
XLogP2.88
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(3-methylphenyl)imidazole?
The IUPAC name of 1-ethyl-4-(3-methylphenyl)imidazole (CID 174530735) is 1-ethyl-4-(3-methylphenyl)imidazole.
What is the SMILES notation for 1-ethyl-4-(3-methylphenyl)imidazole?
The canonical SMILES for 1-ethyl-4-(3-methylphenyl)imidazole is CCn1cnc(-c2cccc(C)c2)c1.
What is the InChIKey of 1-ethyl-4-(3-methylphenyl)imidazole?
The InChIKey is NDALCWDWRJYFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-3-14-8-12(13-9-14)11-6-4-5-10(2)7-11/h4-9H,3H2,1-2H3.
What are the key properties of 1-ethyl-4-(3-methylphenyl)imidazole?
1-ethyl-4-(3-methylphenyl)imidazole has a molecular weight of 186.26 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(3-methylphenyl)imidazole is sourced from PubChem (CID 174530735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).