2-(5-ethylfuran-2-yl)-1-(2-imidazol-1-ylethyl)imidazole

C14H16N4O — CID 56750457

IUPAC2-(5-ethylfuran-2-yl)-1-(2-imidazol-1-ylethyl)imidazole
SMILESCCc1ccc(-c2nccn2CCn2ccnc2)o1
InChIInChI=1S/C14H16N4O/c1-2-12-3-4-13(19-12)14-16-6-8-18(14)10-9-17-7-5-15-11-17/h3-8,11H,2,9-10H2,1H3
InChIKeyIWQNGLIHLOABCB-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.60
Rot. Bonds5

About 2-(5-ethylfuran-2-yl)-1-(2-imidazol-1-ylethyl)imidazole

2-(5-ethylfuran-2-yl)-1-(2-imidazol-1-ylethyl)imidazole (PubChem CID 56750457) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-(5-ethylfuran-2-yl)-1-(2-imidazol-1-ylethyl)imidazole.

Molecular Properties

Compound Name2-(5-ethylfuran-2-yl)-1-(2-imidazol-1-ylethyl)imidazole
PubChem CID56750457
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name2-(5-ethylfuran-2-yl)-1-(2-imidazol-1-ylethyl)imidazole
SMILESCCc1ccc(-c2nccn2CCn2ccnc2)o1
InChIInChI=1S/C14H16N4O/c1-2-12-3-4-13(19-12)14-16-6-8-18(14)10-9-17-7-5-15-11-17/h3-8,11H,2,9-10H2,1H3
InChIKeyIWQNGLIHLOABCB-UHFFFAOYSA-N
XLogP2.60
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-[5-(1-propylimidazol-2-yl)furan-2-yl]methanamine
CID 106887317
2-[[2-(5-ethylfuran-2-yl)imidazol-1-yl]methyl]-1,3-benzoxazole
CID 56864565
1-(2-methoxyethyl)-2-(5-propylfuran-2-yl)imidazole
CID 56742593
5-ethyl-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide
CID 47027033
5-[1-(2-imidazol-1-ylethyl)imidazol-2-yl]quinoline
CID 56759712
N-[1-(5-ethylfuran-2-yl)-2-methoxyethyl]-2-imidazol-1-ylethanesulfonamide
CID 154743974
2-[1-(3-imidazol-1-ylpropyl)imidazol-2-yl]-1-methylbenzimidazole
CID 56748742
N-[[1-(2-imidazol-1-ylethyl)imidazol-2-yl]methyl]propan-1-amine
CID 62223213
N-[[1-(2-imidazol-1-ylethyl)imidazol-2-yl]methyl]propan-2-amine
CID 62221278
1-(2-imidazol-1-ylethyl)-4-methylpyridin-2-one
CID 115777761
2-imidazol-1-yl-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 62956678
2-[2-[5-(5-ethylpyrimidin-2-yl)furan-2-yl]imidazol-1-yl]-N,N-dimethylethanamine
CID 166620898

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylfuran-2-yl)-1-(2-imidazol-1-ylethyl)imidazole?
The IUPAC name of 2-(5-ethylfuran-2-yl)-1-(2-imidazol-1-ylethyl)imidazole (CID 56750457) is 2-(5-ethylfuran-2-yl)-1-(2-imidazol-1-ylethyl)imidazole.
What is the SMILES notation for 2-(5-ethylfuran-2-yl)-1-(2-imidazol-1-ylethyl)imidazole?
The canonical SMILES for 2-(5-ethylfuran-2-yl)-1-(2-imidazol-1-ylethyl)imidazole is CCc1ccc(-c2nccn2CCn2ccnc2)o1.
What is the InChIKey of 2-(5-ethylfuran-2-yl)-1-(2-imidazol-1-ylethyl)imidazole?
The InChIKey is IWQNGLIHLOABCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-2-12-3-4-13(19-12)14-16-6-8-18(14)10-9-17-7-5-15-11-17/h3-8,11H,2,9-10H2,1H3.
What are the key properties of 2-(5-ethylfuran-2-yl)-1-(2-imidazol-1-ylethyl)imidazole?
2-(5-ethylfuran-2-yl)-1-(2-imidazol-1-ylethyl)imidazole has a molecular weight of 256.31 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylfuran-2-yl)-1-(2-imidazol-1-ylethyl)imidazole is sourced from PubChem (CID 56750457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).