2-butyl-5-[1-(furan-3-ylmethyl)imidazol-2-yl]-1H-imidazole

C15H18N4O — CID 56742247

IUPAC2-butyl-5-[1-(furan-3-ylmethyl)imidazol-2-yl]-1H-imidazole
SMILESCCCCc1ncc(-c2nccn2Cc2ccoc2)[nH]1
InChIInChI=1S/C15H18N4O/c1-2-3-4-14-17-9-13(18-14)15-16-6-7-19(15)10-12-5-8-20-11-12/h5-9,11H,2-4,10H2,1H3,(H,17,18)
InChIKeyKPUXXANPHIWRFP-UHFFFAOYSA-N
MW270.34 g/mol
LogP3.26
Rot. Bonds6

About 2-butyl-5-[1-(furan-3-ylmethyl)imidazol-2-yl]-1H-imidazole

2-butyl-5-[1-(furan-3-ylmethyl)imidazol-2-yl]-1H-imidazole (PubChem CID 56742247) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-butyl-5-[1-(furan-3-ylmethyl)imidazol-2-yl]-1H-imidazole.

Molecular Properties

Compound Name2-butyl-5-[1-(furan-3-ylmethyl)imidazol-2-yl]-1H-imidazole
PubChem CID56742247
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name2-butyl-5-[1-(furan-3-ylmethyl)imidazol-2-yl]-1H-imidazole
SMILESCCCCc1ncc(-c2nccn2Cc2ccoc2)[nH]1
InChIInChI=1S/C15H18N4O/c1-2-3-4-14-17-9-13(18-14)15-16-6-7-19(15)10-12-5-8-20-11-12/h5-9,11H,2-4,10H2,1H3,(H,17,18)
InChIKeyKPUXXANPHIWRFP-UHFFFAOYSA-N
XLogP3.26
TPSA59.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-[1-(furan-3-ylmethyl)imidazol-2-yl]-1H-imidazole?
The IUPAC name of 2-butyl-5-[1-(furan-3-ylmethyl)imidazol-2-yl]-1H-imidazole (CID 56742247) is 2-butyl-5-[1-(furan-3-ylmethyl)imidazol-2-yl]-1H-imidazole.
What is the SMILES notation for 2-butyl-5-[1-(furan-3-ylmethyl)imidazol-2-yl]-1H-imidazole?
The canonical SMILES for 2-butyl-5-[1-(furan-3-ylmethyl)imidazol-2-yl]-1H-imidazole is CCCCc1ncc(-c2nccn2Cc2ccoc2)[nH]1.
What is the InChIKey of 2-butyl-5-[1-(furan-3-ylmethyl)imidazol-2-yl]-1H-imidazole?
The InChIKey is KPUXXANPHIWRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-2-3-4-14-17-9-13(18-14)15-16-6-7-19(15)10-12-5-8-20-11-12/h5-9,11H,2-4,10H2,1H3,(H,17,18).
What are the key properties of 2-butyl-5-[1-(furan-3-ylmethyl)imidazol-2-yl]-1H-imidazole?
2-butyl-5-[1-(furan-3-ylmethyl)imidazol-2-yl]-1H-imidazole has a molecular weight of 270.34 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-[1-(furan-3-ylmethyl)imidazol-2-yl]-1H-imidazole is sourced from PubChem (CID 56742247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).