1-(furan-2-ylmethyl)-5-methylimidazole

C9H10N2O — CID 116798912

IUPAC1-(furan-2-ylmethyl)-5-methylimidazole
SMILESCc1cncn1Cc1ccco1
InChIInChI=1S/C9H10N2O/c1-8-5-10-7-11(8)6-9-3-2-4-12-9/h2-5,7H,6H2,1H3
InChIKeyVWJGDBMCTZFTNW-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.83
Rot. Bonds2

About 1-(furan-2-ylmethyl)-5-methylimidazole

1-(furan-2-ylmethyl)-5-methylimidazole (PubChem CID 116798912) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-5-methylimidazole.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-5-methylimidazole
PubChem CID116798912
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name1-(furan-2-ylmethyl)-5-methylimidazole
SMILESCc1cncn1Cc1ccco1
InChIInChI=1S/C9H10N2O/c1-8-5-10-7-11(8)6-9-3-2-4-12-9/h2-5,7H,6H2,1H3
InChIKeyVWJGDBMCTZFTNW-UHFFFAOYSA-N
XLogP1.83
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(chloromethyl)-1-(furan-2-ylmethyl)imidazole;hydrochloride
CID 18673584
N-[[3-[2-(furan-2-yl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66148632
4-[3-[2-(furan-2-yl)ethyl]imidazol-4-yl]-4-methylpiperidine
CID 114718688
2-(furan-2-ylmethyl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 117137872
2-[1-(furan-2-ylmethyl)imidazol-2-yl]pyridine
CID 155919716
1-[2-(furan-2-yl)ethyl]-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104942485
4-[ethyl(propyl)amino]-1-(furan-2-ylmethyl)-1,3,5-triazin-2-one
CID 57103122
3-(furan-2-ylmethyl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid
CID 39103330
5,6-difluoro-1-(furan-2-ylmethyl)benzimidazole
CID 113223340
3-(furan-2-ylmethyl)-4-methyl-1H-imidazole-2-thione
CID 81339214
[1-(furan-2-ylmethyl)pyrrol-2-yl] hydrogen carbonate
CID 67751033
1-[1-(furan-2-ylmethyl)-5-methyltriazol-4-yl]ethanone
CID 71470002

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-5-methylimidazole?
The IUPAC name of 1-(furan-2-ylmethyl)-5-methylimidazole (CID 116798912) is 1-(furan-2-ylmethyl)-5-methylimidazole.
What is the SMILES notation for 1-(furan-2-ylmethyl)-5-methylimidazole?
The canonical SMILES for 1-(furan-2-ylmethyl)-5-methylimidazole is Cc1cncn1Cc1ccco1.
What is the InChIKey of 1-(furan-2-ylmethyl)-5-methylimidazole?
The InChIKey is VWJGDBMCTZFTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-8-5-10-7-11(8)6-9-3-2-4-12-9/h2-5,7H,6H2,1H3.
What are the key properties of 1-(furan-2-ylmethyl)-5-methylimidazole?
1-(furan-2-ylmethyl)-5-methylimidazole has a molecular weight of 162.19 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-5-methylimidazole is sourced from PubChem (CID 116798912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).