1-(3-imidazol-1-ylpropyl)-2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazole

C16H16N6O — CID 56751765

IUPAC1-(3-imidazol-1-ylpropyl)-2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazole
SMILESc1cn(CCCn2ccnc2-c2ccc(-c3ccn[nH]3)o2)cn1
InChIInChI=1S/C16H16N6O/c1(8-21-10-6-17-12-21)9-22-11-7-18-16(22)15-3-2-14(23-15)13-4-5-19-20-13/h2-7,10-12H,1,8-9H2,(H,19,20)
InChIKeyUTDLXTNYGAIYSE-UHFFFAOYSA-N
MW308.35 g/mol
LogP2.82
Rot. Bonds6

About 1-(3-imidazol-1-ylpropyl)-2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazole

1-(3-imidazol-1-ylpropyl)-2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazole (PubChem CID 56751765) has the molecular formula C16H16N6O and a molecular weight of 308.35 g/mol. Its IUPAC name is 1-(3-imidazol-1-ylpropyl)-2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazole.

Molecular Properties

Compound Name1-(3-imidazol-1-ylpropyl)-2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazole
PubChem CID56751765
Molecular FormulaC16H16N6O
Molecular Weight308.35 g/mol
Exact Mass308.14
IUPAC Name1-(3-imidazol-1-ylpropyl)-2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazole
SMILESc1cn(CCCn2ccnc2-c2ccc(-c3ccn[nH]3)o2)cn1
InChIInChI=1S/C16H16N6O/c1(8-21-10-6-17-12-21)9-22-11-7-18-16(22)15-3-2-14(23-15)13-4-5-19-20-13/h2-7,10-12H,1,8-9H2,(H,19,20)
InChIKeyUTDLXTNYGAIYSE-UHFFFAOYSA-N
XLogP2.82
TPSA77.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-imidazol-1-ylpropyl)-2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazole?
The IUPAC name of 1-(3-imidazol-1-ylpropyl)-2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazole (CID 56751765) is 1-(3-imidazol-1-ylpropyl)-2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazole.
What is the SMILES notation for 1-(3-imidazol-1-ylpropyl)-2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazole?
The canonical SMILES for 1-(3-imidazol-1-ylpropyl)-2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazole is c1cn(CCCn2ccnc2-c2ccc(-c3ccn[nH]3)o2)cn1.
What is the InChIKey of 1-(3-imidazol-1-ylpropyl)-2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazole?
The InChIKey is UTDLXTNYGAIYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O/c1(8-21-10-6-17-12-21)9-22-11-7-18-16(22)15-3-2-14(23-15)13-4-5-19-20-13/h2-7,10-12H,1,8-9H2,(H,19,20).
What are the key properties of 1-(3-imidazol-1-ylpropyl)-2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazole?
1-(3-imidazol-1-ylpropyl)-2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazole has a molecular weight of 308.35 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-imidazol-1-ylpropyl)-2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazole is sourced from PubChem (CID 56751765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).