2-(5-ethylfuran-2-yl)-1-(4-pyrazol-1-ylbutan-2-yl)imidazole

C16H20N4O — CID 56863819

IUPAC2-(5-ethylfuran-2-yl)-1-(4-pyrazol-1-ylbutan-2-yl)imidazole
SMILESCCc1ccc(-c2nccn2C(C)CCn2cccn2)o1
InChIInChI=1S/C16H20N4O/c1-3-14-5-6-15(21-14)16-17-9-12-20(16)13(2)7-11-19-10-4-8-18-19/h4-6,8-10,12-13H,3,7,11H2,1-2H3
InChIKeyXXCAYLBTYKIYQG-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.55
Rot. Bonds6

About 2-(5-ethylfuran-2-yl)-1-(4-pyrazol-1-ylbutan-2-yl)imidazole

2-(5-ethylfuran-2-yl)-1-(4-pyrazol-1-ylbutan-2-yl)imidazole (PubChem CID 56863819) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(5-ethylfuran-2-yl)-1-(4-pyrazol-1-ylbutan-2-yl)imidazole.

Molecular Properties

Compound Name2-(5-ethylfuran-2-yl)-1-(4-pyrazol-1-ylbutan-2-yl)imidazole
PubChem CID56863819
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name2-(5-ethylfuran-2-yl)-1-(4-pyrazol-1-ylbutan-2-yl)imidazole
SMILESCCc1ccc(-c2nccn2C(C)CCn2cccn2)o1
InChIInChI=1S/C16H20N4O/c1-3-14-5-6-15(21-14)16-17-9-12-20(16)13(2)7-11-19-10-4-8-18-19/h4-6,8-10,12-13H,3,7,11H2,1-2H3
InChIKeyXXCAYLBTYKIYQG-UHFFFAOYSA-N
XLogP3.55
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-5-[1-(4-pyrazol-1-ylbutan-2-yl)imidazol-2-yl]pyrimidine
CID 56863217
2-(7-methoxy-1,3-benzodioxol-5-yl)-1-(4-pyrazol-1-ylbutan-2-yl)imidazole
CID 56872081
2-(5-ethylfuran-2-yl)-1-(2-imidazol-1-ylethyl)imidazole
CID 56750457
2-[[2-(5-ethylfuran-2-yl)imidazol-1-yl]methyl]-1,3-benzoxazole
CID 56864565
3-[2-[2-(5-ethylfuran-2-yl)imidazol-1-yl]ethylsulfanyl]-4-methyl-1,2,4-triazole
CID 56918417
N-(4-pyrazol-1-ylbutan-2-yl)pyridin-2-amine
CID 115977889
N-methyl-1-[5-(1-propylimidazol-2-yl)furan-2-yl]methanamine
CID 106887317
2-(furan-2-yl)-1-[(2R)-1-thiophen-3-ylpropan-2-yl]imidazole
CID 95559159
(1S)-1-[4-methyl-2-(2-pyrazol-1-ylethoxy)phenyl]ethanamine
CID 63650094
N-[[1-(2-pyrazol-1-ylethyl)imidazol-2-yl]methyl]propan-2-amine
CID 62221280
1-pyrazol-1-ylpentan-3-amine
CID 130305339
(2R)-1-(4-pyrazol-1-ylbutan-2-ylamino)propan-2-ol
CID 103952260

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylfuran-2-yl)-1-(4-pyrazol-1-ylbutan-2-yl)imidazole?
The IUPAC name of 2-(5-ethylfuran-2-yl)-1-(4-pyrazol-1-ylbutan-2-yl)imidazole (CID 56863819) is 2-(5-ethylfuran-2-yl)-1-(4-pyrazol-1-ylbutan-2-yl)imidazole.
What is the SMILES notation for 2-(5-ethylfuran-2-yl)-1-(4-pyrazol-1-ylbutan-2-yl)imidazole?
The canonical SMILES for 2-(5-ethylfuran-2-yl)-1-(4-pyrazol-1-ylbutan-2-yl)imidazole is CCc1ccc(-c2nccn2C(C)CCn2cccn2)o1.
What is the InChIKey of 2-(5-ethylfuran-2-yl)-1-(4-pyrazol-1-ylbutan-2-yl)imidazole?
The InChIKey is XXCAYLBTYKIYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-3-14-5-6-15(21-14)16-17-9-12-20(16)13(2)7-11-19-10-4-8-18-19/h4-6,8-10,12-13H,3,7,11H2,1-2H3.
What are the key properties of 2-(5-ethylfuran-2-yl)-1-(4-pyrazol-1-ylbutan-2-yl)imidazole?
2-(5-ethylfuran-2-yl)-1-(4-pyrazol-1-ylbutan-2-yl)imidazole has a molecular weight of 284.36 g/mol, XLogP of 3.55, 6 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-(4-pyrazol-1-ylbutan-2-yl)imidazole is sourced from PubChem (CID 56863819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).