1,4,5-trimethyl-3-[(3,4,5-trimethyl-2H-imidazol-1-yl)methyl]-2H-imidazole

C13H24N4 — CID 18714302

IUPAC1,4,5-trimethyl-3-[(3,4,5-trimethyl-2H-imidazol-1-yl)methyl]-2H-imidazole
SMILESCC1=C(C)N(CN2CN(C)C(C)=C2C)CN1C
InChIInChI=1S/C13H24N4/c1-10-12(3)16(7-14(10)5)9-17-8-15(6)11(2)13(17)4/h7-9H2,1-6H3
InChIKeyZXBSJZGUILNEAT-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.86
Rot. Bonds2

About 1,4,5-trimethyl-3-[(3,4,5-trimethyl-2H-imidazol-1-yl)methyl]-2H-imidazole

1,4,5-trimethyl-3-[(3,4,5-trimethyl-2H-imidazol-1-yl)methyl]-2H-imidazole (PubChem CID 18714302) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1,4,5-trimethyl-3-[(3,4,5-trimethyl-2H-imidazol-1-yl)methyl]-2H-imidazole.

Molecular Properties

Compound Name1,4,5-trimethyl-3-[(3,4,5-trimethyl-2H-imidazol-1-yl)methyl]-2H-imidazole
PubChem CID18714302
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name1,4,5-trimethyl-3-[(3,4,5-trimethyl-2H-imidazol-1-yl)methyl]-2H-imidazole
SMILESCC1=C(C)N(CN2CN(C)C(C)=C2C)CN1C
InChIInChI=1S/C13H24N4/c1-10-12(3)16(7-14(10)5)9-17-8-15(6)11(2)13(17)4/h7-9H2,1-6H3
InChIKeyZXBSJZGUILNEAT-UHFFFAOYSA-N
XLogP1.86
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4,5-trimethyl-3-[(3,4,5-trimethyl-2H-imidazol-1-yl)methyl]-2H-imidazole?
The IUPAC name of 1,4,5-trimethyl-3-[(3,4,5-trimethyl-2H-imidazol-1-yl)methyl]-2H-imidazole (CID 18714302) is 1,4,5-trimethyl-3-[(3,4,5-trimethyl-2H-imidazol-1-yl)methyl]-2H-imidazole.
What is the SMILES notation for 1,4,5-trimethyl-3-[(3,4,5-trimethyl-2H-imidazol-1-yl)methyl]-2H-imidazole?
The canonical SMILES for 1,4,5-trimethyl-3-[(3,4,5-trimethyl-2H-imidazol-1-yl)methyl]-2H-imidazole is CC1=C(C)N(CN2CN(C)C(C)=C2C)CN1C.
What is the InChIKey of 1,4,5-trimethyl-3-[(3,4,5-trimethyl-2H-imidazol-1-yl)methyl]-2H-imidazole?
The InChIKey is ZXBSJZGUILNEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-10-12(3)16(7-14(10)5)9-17-8-15(6)11(2)13(17)4/h7-9H2,1-6H3.
What are the key properties of 1,4,5-trimethyl-3-[(3,4,5-trimethyl-2H-imidazol-1-yl)methyl]-2H-imidazole?
1,4,5-trimethyl-3-[(3,4,5-trimethyl-2H-imidazol-1-yl)methyl]-2H-imidazole has a molecular weight of 236.36 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5-trimethyl-3-[(3,4,5-trimethyl-2H-imidazol-1-yl)methyl]-2H-imidazole is sourced from PubChem (CID 18714302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).