1-(furan-2-ylmethyl)-2-[(2R)-pentan-2-yl]imidazole

C13H18N2O — CID 95204772

IUPAC1-(furan-2-ylmethyl)-2-[(2R)-pentan-2-yl]imidazole
SMILESCCC[C@@H](C)c1nccn1Cc1ccco1
InChIInChI=1S/C13H18N2O/c1-3-5-11(2)13-14-7-8-15(13)10-12-6-4-9-16-12/h4,6-9,11H,3,5,10H2,1-2H3/t11-/m1/s1
InChIKeyXZLHOJJIPAKYKJ-LLVKDONJSA-N
MW218.30 g/mol
LogP3.43
Rot. Bonds5

About 1-(furan-2-ylmethyl)-2-[(2R)-pentan-2-yl]imidazole

1-(furan-2-ylmethyl)-2-[(2R)-pentan-2-yl]imidazole (PubChem CID 95204772) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-2-[(2R)-pentan-2-yl]imidazole.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-2-[(2R)-pentan-2-yl]imidazole
PubChem CID95204772
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-(furan-2-ylmethyl)-2-[(2R)-pentan-2-yl]imidazole
SMILESCCC[C@@H](C)c1nccn1Cc1ccco1
InChIInChI=1S/C13H18N2O/c1-3-5-11(2)13-14-7-8-15(13)10-12-6-4-9-16-12/h4,6-9,11H,3,5,10H2,1-2H3/t11-/m1/s1
InChIKeyXZLHOJJIPAKYKJ-LLVKDONJSA-N
XLogP3.43
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethylimidazol-2-yl)-3-(furan-2-yl)propan-1-ol
CID 105098994
[1-(1-ethylimidazol-2-yl)-3-(furan-2-yl)propyl]hydrazine
CID 105308405
2-[1-(furan-2-ylmethyl)imidazol-2-yl]pyridine
CID 155919716
N-[(1-ethylimidazol-2-yl)-(furan-2-yl)methyl]propan-1-amine
CID 61315206
(3R)-1-(furan-2-ylmethyl)-N-[(1-propylimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 125437302
2-(3-methylhexyl)furan
CID 12840321
[3-(furan-2-yl)-1-(1-methylimidazol-2-yl)propyl]hydrazine
CID 105308202
5-ethyl-2-[1-[2-(furan-2-yl)ethyl]imidazol-2-yl]pyridine
CID 56867577
4-[[1-[2-(furan-2-yl)ethyl]imidazol-2-yl]methyl]-1-methylpiperidine
CID 142640348
3-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylpropanenitrile
CID 94685888
(2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(2R)-4-(furan-2-yl)butan-2-yl]oxan-3-amine
CID 129400622
N-(2-methylpropyl)-3-(1-propylimidazol-2-yl)butan-1-amine
CID 81018634

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-2-[(2R)-pentan-2-yl]imidazole?
The IUPAC name of 1-(furan-2-ylmethyl)-2-[(2R)-pentan-2-yl]imidazole (CID 95204772) is 1-(furan-2-ylmethyl)-2-[(2R)-pentan-2-yl]imidazole.
What is the SMILES notation for 1-(furan-2-ylmethyl)-2-[(2R)-pentan-2-yl]imidazole?
The canonical SMILES for 1-(furan-2-ylmethyl)-2-[(2R)-pentan-2-yl]imidazole is CCC[C@@H](C)c1nccn1Cc1ccco1.
What is the InChIKey of 1-(furan-2-ylmethyl)-2-[(2R)-pentan-2-yl]imidazole?
The InChIKey is XZLHOJJIPAKYKJ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H18N2O/c1-3-5-11(2)13-14-7-8-15(13)10-12-6-4-9-16-12/h4,6-9,11H,3,5,10H2,1-2H3/t11-/m1/s1.
What are the key properties of 1-(furan-2-ylmethyl)-2-[(2R)-pentan-2-yl]imidazole?
1-(furan-2-ylmethyl)-2-[(2R)-pentan-2-yl]imidazole has a molecular weight of 218.30 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-2-[(2R)-pentan-2-yl]imidazole is sourced from PubChem (CID 95204772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).