2,4,5-trimethyl-1-(2,4,5-trimethylimidazol-2-yl)imidazole

C12H18N4 — CID 23387153

IUPAC2,4,5-trimethyl-1-(2,4,5-trimethylimidazol-2-yl)imidazole
SMILESCC1=NC(C)(n2c(C)nc(C)c2C)N=C1C
InChIInChI=1S/C12H18N4/c1-7-8(2)15-12(6,14-7)16-10(4)9(3)13-11(16)5/h1-6H3
InChIKeyRDLMSIPVGOEEJI-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.37
Rot. Bonds1

About 2,4,5-trimethyl-1-(2,4,5-trimethylimidazol-2-yl)imidazole

2,4,5-trimethyl-1-(2,4,5-trimethylimidazol-2-yl)imidazole (PubChem CID 23387153) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2,4,5-trimethyl-1-(2,4,5-trimethylimidazol-2-yl)imidazole.

Molecular Properties

Compound Name2,4,5-trimethyl-1-(2,4,5-trimethylimidazol-2-yl)imidazole
PubChem CID23387153
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name2,4,5-trimethyl-1-(2,4,5-trimethylimidazol-2-yl)imidazole
SMILESCC1=NC(C)(n2c(C)nc(C)c2C)N=C1C
InChIInChI=1S/C12H18N4/c1-7-8(2)15-12(6,14-7)16-10(4)9(3)13-11(16)5/h1-6H3
InChIKeyRDLMSIPVGOEEJI-UHFFFAOYSA-N
XLogP2.37
TPSA42.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-1-(2,4,5-trimethylimidazol-2-yl)imidazole?
The IUPAC name of 2,4,5-trimethyl-1-(2,4,5-trimethylimidazol-2-yl)imidazole (CID 23387153) is 2,4,5-trimethyl-1-(2,4,5-trimethylimidazol-2-yl)imidazole.
What is the SMILES notation for 2,4,5-trimethyl-1-(2,4,5-trimethylimidazol-2-yl)imidazole?
The canonical SMILES for 2,4,5-trimethyl-1-(2,4,5-trimethylimidazol-2-yl)imidazole is CC1=NC(C)(n2c(C)nc(C)c2C)N=C1C.
What is the InChIKey of 2,4,5-trimethyl-1-(2,4,5-trimethylimidazol-2-yl)imidazole?
The InChIKey is RDLMSIPVGOEEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-7-8(2)15-12(6,14-7)16-10(4)9(3)13-11(16)5/h1-6H3.
What are the key properties of 2,4,5-trimethyl-1-(2,4,5-trimethylimidazol-2-yl)imidazole?
2,4,5-trimethyl-1-(2,4,5-trimethylimidazol-2-yl)imidazole has a molecular weight of 218.30 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-1-(2,4,5-trimethylimidazol-2-yl)imidazole is sourced from PubChem (CID 23387153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).