1-[3-(2-ethylimidazol-1-yl)propyl]-2-(5-methyl-1H-imidazol-4-yl)imidazole

C15H20N6 — CID 56706438

IUPAC1-[3-(2-ethylimidazol-1-yl)propyl]-2-(5-methyl-1H-imidazol-4-yl)imidazole
SMILESCCc1nccn1CCCn1ccnc1-c1nc[nH]c1C
InChIInChI=1S/C15H20N6/c1-3-13-16-5-9-20(13)7-4-8-21-10-6-17-15(21)14-12(2)18-11-19-14/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,18,19)
InChIKeyRXRLKTWGUCOZKI-UHFFFAOYSA-N
MW284.37 g/mol
LogP2.43
Rot. Bonds6

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

1-[3-(2-ethylimidazol-1-yl)propyl]-2-(5-methyl-1H-imidazol-4-yl)imidazole (PubChem CID 56706438) has the molecular formula C15H20N6 and a molecular weight of 284.37 g/mol. Its IUPAC name is 1-[3-(2-ethylimidazol-1-yl)propyl]-2-(5-methyl-1H-imidazol-4-yl)imidazole.

Molecular Properties

Compound Name1-[3-(2-ethylimidazol-1-yl)propyl]-2-(5-methyl-1H-imidazol-4-yl)imidazole
PubChem CID56706438
Molecular FormulaC15H20N6
Molecular Weight284.37 g/mol
Exact Mass284.17
IUPAC Name1-[3-(2-ethylimidazol-1-yl)propyl]-2-(5-methyl-1H-imidazol-4-yl)imidazole
SMILESCCc1nccn1CCCn1ccnc1-c1nc[nH]c1C
InChIInChI=1S/C15H20N6/c1-3-13-16-5-9-20(13)7-4-8-21-10-6-17-15(21)14-12(2)18-11-19-14/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,18,19)
InChIKeyRXRLKTWGUCOZKI-UHFFFAOYSA-N
XLogP2.43
TPSA64.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-ethylimidazol-1-yl)propyl]-2-(5-methyl-1H-imidazol-4-yl)imidazole?
The IUPAC name of 1-[3-(2-ethylimidazol-1-yl)propyl]-2-(5-methyl-1H-imidazol-4-yl)imidazole (CID 56706438) is 1-[3-(2-ethylimidazol-1-yl)propyl]-2-(5-methyl-1H-imidazol-4-yl)imidazole.
What is the SMILES notation for 1-[3-(2-ethylimidazol-1-yl)propyl]-2-(5-methyl-1H-imidazol-4-yl)imidazole?
The canonical SMILES for 1-[3-(2-ethylimidazol-1-yl)propyl]-2-(5-methyl-1H-imidazol-4-yl)imidazole is CCc1nccn1CCCn1ccnc1-c1nc[nH]c1C.
What is the InChIKey of 1-[3-(2-ethylimidazol-1-yl)propyl]-2-(5-methyl-1H-imidazol-4-yl)imidazole?
The InChIKey is RXRLKTWGUCOZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6/c1-3-13-16-5-9-20(13)7-4-8-21-10-6-17-15(21)14-12(2)18-11-19-14/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,18,19).
What are the key properties of 1-[3-(2-ethylimidazol-1-yl)propyl]-2-(5-methyl-1H-imidazol-4-yl)imidazole?
1-[3-(2-ethylimidazol-1-yl)propyl]-2-(5-methyl-1H-imidazol-4-yl)imidazole has a molecular weight of 284.37 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-ethylimidazol-1-yl)propyl]-2-(5-methyl-1H-imidazol-4-yl)imidazole is sourced from PubChem (CID 56706438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).