2-ethyl-4-[1-(3-imidazol-1-ylpropyl)imidazol-2-yl]-5-methyl-1H-imidazole

C15H20N6 — CID 56747714

IUPAC2-ethyl-4-[1-(3-imidazol-1-ylpropyl)imidazol-2-yl]-5-methyl-1H-imidazole
SMILESCCc1nc(-c2nccn2CCCn2ccnc2)c(C)[nH]1
InChIInChI=1S/C15H20N6/c1-3-13-18-12(2)14(19-13)15-17-6-10-21(15)8-4-7-20-9-5-16-11-20/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,18,19)
InChIKeyZEVLYOFNDOCDCG-UHFFFAOYSA-N
MW284.37 g/mol
LogP2.43
Rot. Bonds6

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

2-ethyl-4-[1-(3-imidazol-1-ylpropyl)imidazol-2-yl]-5-methyl-1H-imidazole (PubChem CID 56747714) has the molecular formula C15H20N6 and a molecular weight of 284.37 g/mol. Its IUPAC name is 2-ethyl-4-[1-(3-imidazol-1-ylpropyl)imidazol-2-yl]-5-methyl-1H-imidazole.

Molecular Properties

Compound Name2-ethyl-4-[1-(3-imidazol-1-ylpropyl)imidazol-2-yl]-5-methyl-1H-imidazole
PubChem CID56747714
Molecular FormulaC15H20N6
Molecular Weight284.37 g/mol
Exact Mass284.17
IUPAC Name2-ethyl-4-[1-(3-imidazol-1-ylpropyl)imidazol-2-yl]-5-methyl-1H-imidazole
SMILESCCc1nc(-c2nccn2CCCn2ccnc2)c(C)[nH]1
InChIInChI=1S/C15H20N6/c1-3-13-18-12(2)14(19-13)15-17-6-10-21(15)8-4-7-20-9-5-16-11-20/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,18,19)
InChIKeyZEVLYOFNDOCDCG-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 2-ethyl-4-[1-(3-imidazol-1-ylpropyl)imidazol-2-yl]-5-methyl-1H-imidazole?
The IUPAC name of 2-ethyl-4-[1-(3-imidazol-1-ylpropyl)imidazol-2-yl]-5-methyl-1H-imidazole (CID 56747714) is 2-ethyl-4-[1-(3-imidazol-1-ylpropyl)imidazol-2-yl]-5-methyl-1H-imidazole.
What is the SMILES notation for 2-ethyl-4-[1-(3-imidazol-1-ylpropyl)imidazol-2-yl]-5-methyl-1H-imidazole?
The canonical SMILES for 2-ethyl-4-[1-(3-imidazol-1-ylpropyl)imidazol-2-yl]-5-methyl-1H-imidazole is CCc1nc(-c2nccn2CCCn2ccnc2)c(C)[nH]1.
What is the InChIKey of 2-ethyl-4-[1-(3-imidazol-1-ylpropyl)imidazol-2-yl]-5-methyl-1H-imidazole?
The InChIKey is ZEVLYOFNDOCDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6/c1-3-13-18-12(2)14(19-13)15-17-6-10-21(15)8-4-7-20-9-5-16-11-20/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,18,19).
What are the key properties of 2-ethyl-4-[1-(3-imidazol-1-ylpropyl)imidazol-2-yl]-5-methyl-1H-imidazole?
2-ethyl-4-[1-(3-imidazol-1-ylpropyl)imidazol-2-yl]-5-methyl-1H-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 2-ethyl-4-[1-(3-imidazol-1-ylpropyl)imidazol-2-yl]-5-methyl-1H-imidazole is sourced from PubChem (CID 56747714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).