4-[2-(2,5-dimethyl-1H-imidazol-4-yl)ethyl]-2,5-dimethyl-1H-imidazole

C12H18N4 — CID 22982174

IUPAC4-[2-(2,5-dimethyl-1H-imidazol-4-yl)ethyl]-2,5-dimethyl-1H-imidazole
SMILESCc1nc(CCc2nc(C)[nH]c2C)c(C)[nH]1
InChIInChI=1S/C12H18N4/c1-7-11(15-9(3)13-7)5-6-12-8(2)14-10(4)16-12/h5-6H2,1-4H3,(H,13,15)(H,14,16)
InChIKeyRUOIVPMYCANRPM-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.15
Rot. Bonds3

About 4-[2-(2,5-dimethyl-1H-imidazol-4-yl)ethyl]-2,5-dimethyl-1H-imidazole

4-[2-(2,5-dimethyl-1H-imidazol-4-yl)ethyl]-2,5-dimethyl-1H-imidazole (PubChem CID 22982174) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 4-[2-(2,5-dimethyl-1H-imidazol-4-yl)ethyl]-2,5-dimethyl-1H-imidazole.

Molecular Properties

Compound Name4-[2-(2,5-dimethyl-1H-imidazol-4-yl)ethyl]-2,5-dimethyl-1H-imidazole
PubChem CID22982174
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name4-[2-(2,5-dimethyl-1H-imidazol-4-yl)ethyl]-2,5-dimethyl-1H-imidazole
SMILESCc1nc(CCc2nc(C)[nH]c2C)c(C)[nH]1
InChIInChI=1S/C12H18N4/c1-7-11(15-9(3)13-7)5-6-12-8(2)14-10(4)16-12/h5-6H2,1-4H3,(H,13,15)(H,14,16)
InChIKeyRUOIVPMYCANRPM-UHFFFAOYSA-N
XLogP2.15
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,5-dimethyl-1H-imidazol-4-yl)ethyl]-2,5-dimethyl-1H-imidazole?
The IUPAC name of 4-[2-(2,5-dimethyl-1H-imidazol-4-yl)ethyl]-2,5-dimethyl-1H-imidazole (CID 22982174) is 4-[2-(2,5-dimethyl-1H-imidazol-4-yl)ethyl]-2,5-dimethyl-1H-imidazole.
What is the SMILES notation for 4-[2-(2,5-dimethyl-1H-imidazol-4-yl)ethyl]-2,5-dimethyl-1H-imidazole?
The canonical SMILES for 4-[2-(2,5-dimethyl-1H-imidazol-4-yl)ethyl]-2,5-dimethyl-1H-imidazole is Cc1nc(CCc2nc(C)[nH]c2C)c(C)[nH]1.
What is the InChIKey of 4-[2-(2,5-dimethyl-1H-imidazol-4-yl)ethyl]-2,5-dimethyl-1H-imidazole?
The InChIKey is RUOIVPMYCANRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-7-11(15-9(3)13-7)5-6-12-8(2)14-10(4)16-12/h5-6H2,1-4H3,(H,13,15)(H,14,16).
What are the key properties of 4-[2-(2,5-dimethyl-1H-imidazol-4-yl)ethyl]-2,5-dimethyl-1H-imidazole?
4-[2-(2,5-dimethyl-1H-imidazol-4-yl)ethyl]-2,5-dimethyl-1H-imidazole has a molecular weight of 218.30 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,5-dimethyl-1H-imidazol-4-yl)ethyl]-2,5-dimethyl-1H-imidazole is sourced from PubChem (CID 22982174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).