1-butyl-4,5-dimethyl-2-(2,4,6-trimethylphenyl)imidazole

C18H26N2 — CID 142562424

IUPAC1-butyl-4,5-dimethyl-2-(2,4,6-trimethylphenyl)imidazole
SMILESCCCCn1c(-c2c(C)cc(C)cc2C)nc(C)c1C
InChIInChI=1S/C18H26N2/c1-7-8-9-20-16(6)15(5)19-18(20)17-13(3)10-12(2)11-14(17)4/h10-11H,7-9H2,1-6H3
InChIKeyWEZPDCPKPJUQBL-UHFFFAOYSA-N
MW270.42 g/mol
LogP4.89
Rot. Bonds4

About 1-butyl-4,5-dimethyl-2-(2,4,6-trimethylphenyl)imidazole

1-butyl-4,5-dimethyl-2-(2,4,6-trimethylphenyl)imidazole (PubChem CID 142562424) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 1-butyl-4,5-dimethyl-2-(2,4,6-trimethylphenyl)imidazole.

Molecular Properties

Compound Name1-butyl-4,5-dimethyl-2-(2,4,6-trimethylphenyl)imidazole
PubChem CID142562424
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name1-butyl-4,5-dimethyl-2-(2,4,6-trimethylphenyl)imidazole
SMILESCCCCn1c(-c2c(C)cc(C)cc2C)nc(C)c1C
InChIInChI=1S/C18H26N2/c1-7-8-9-20-16(6)15(5)19-18(20)17-13(3)10-12(2)11-14(17)4/h10-11H,7-9H2,1-6H3
InChIKeyWEZPDCPKPJUQBL-UHFFFAOYSA-N
XLogP4.89
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-4,5-dimethyl-2-(2,4,6-trimethylphenyl)imidazole?
The IUPAC name of 1-butyl-4,5-dimethyl-2-(2,4,6-trimethylphenyl)imidazole (CID 142562424) is 1-butyl-4,5-dimethyl-2-(2,4,6-trimethylphenyl)imidazole.
What is the SMILES notation for 1-butyl-4,5-dimethyl-2-(2,4,6-trimethylphenyl)imidazole?
The canonical SMILES for 1-butyl-4,5-dimethyl-2-(2,4,6-trimethylphenyl)imidazole is CCCCn1c(-c2c(C)cc(C)cc2C)nc(C)c1C.
What is the InChIKey of 1-butyl-4,5-dimethyl-2-(2,4,6-trimethylphenyl)imidazole?
The InChIKey is WEZPDCPKPJUQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-7-8-9-20-16(6)15(5)19-18(20)17-13(3)10-12(2)11-14(17)4/h10-11H,7-9H2,1-6H3.
What are the key properties of 1-butyl-4,5-dimethyl-2-(2,4,6-trimethylphenyl)imidazole?
1-butyl-4,5-dimethyl-2-(2,4,6-trimethylphenyl)imidazole has a molecular weight of 270.42 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4,5-dimethyl-2-(2,4,6-trimethylphenyl)imidazole is sourced from PubChem (CID 142562424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).