4-[3-(2,5-dimethyl-1H-imidazol-4-yl)propyl]-2,5-dimethyl-1H-imidazole

C13H20N4 — CID 22982178

IUPAC4-[3-(2,5-dimethyl-1H-imidazol-4-yl)propyl]-2,5-dimethyl-1H-imidazole
SMILESCc1nc(CCCc2nc(C)[nH]c2C)c(C)[nH]1
InChIInChI=1S/C13H20N4/c1-8-12(16-10(3)14-8)6-5-7-13-9(2)15-11(4)17-13/h5-7H2,1-4H3,(H,14,16)(H,15,17)
InChIKeyLYVFTWBEXTUOSN-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.54
Rot. Bonds4

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

4-[3-(2,5-dimethyl-1H-imidazol-4-yl)propyl]-2,5-dimethyl-1H-imidazole (PubChem CID 22982178) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 4-[3-(2,5-dimethyl-1H-imidazol-4-yl)propyl]-2,5-dimethyl-1H-imidazole.

Molecular Properties

Compound Name4-[3-(2,5-dimethyl-1H-imidazol-4-yl)propyl]-2,5-dimethyl-1H-imidazole
PubChem CID22982178
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name4-[3-(2,5-dimethyl-1H-imidazol-4-yl)propyl]-2,5-dimethyl-1H-imidazole
SMILESCc1nc(CCCc2nc(C)[nH]c2C)c(C)[nH]1
InChIInChI=1S/C13H20N4/c1-8-12(16-10(3)14-8)6-5-7-13-9(2)15-11(4)17-13/h5-7H2,1-4H3,(H,14,16)(H,15,17)
InChIKeyLYVFTWBEXTUOSN-UHFFFAOYSA-N
XLogP2.54
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,5-dimethyl-1H-imidazol-4-yl)propyl]-2,5-dimethyl-1H-imidazole?
The IUPAC name of 4-[3-(2,5-dimethyl-1H-imidazol-4-yl)propyl]-2,5-dimethyl-1H-imidazole (CID 22982178) is 4-[3-(2,5-dimethyl-1H-imidazol-4-yl)propyl]-2,5-dimethyl-1H-imidazole.
What is the SMILES notation for 4-[3-(2,5-dimethyl-1H-imidazol-4-yl)propyl]-2,5-dimethyl-1H-imidazole?
The canonical SMILES for 4-[3-(2,5-dimethyl-1H-imidazol-4-yl)propyl]-2,5-dimethyl-1H-imidazole is Cc1nc(CCCc2nc(C)[nH]c2C)c(C)[nH]1.
What is the InChIKey of 4-[3-(2,5-dimethyl-1H-imidazol-4-yl)propyl]-2,5-dimethyl-1H-imidazole?
The InChIKey is LYVFTWBEXTUOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-8-12(16-10(3)14-8)6-5-7-13-9(2)15-11(4)17-13/h5-7H2,1-4H3,(H,14,16)(H,15,17).
What are the key properties of 4-[3-(2,5-dimethyl-1H-imidazol-4-yl)propyl]-2,5-dimethyl-1H-imidazole?
4-[3-(2,5-dimethyl-1H-imidazol-4-yl)propyl]-2,5-dimethyl-1H-imidazole has a molecular weight of 232.33 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,5-dimethyl-1H-imidazol-4-yl)propyl]-2,5-dimethyl-1H-imidazole is sourced from PubChem (CID 22982178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).