2-(furan-2-yl)-1-methylimidazole

C8H8N2O — CID 14469457

IUPAC2-(furan-2-yl)-1-methylimidazole
SMILESCn1ccnc1-c1ccco1
InChIInChI=1S/C8H8N2O/c1-10-5-4-9-8(10)7-3-2-6-11-7/h2-6H,1H3
InChIKeyUGOAQQHDZUUWCE-UHFFFAOYSA-N
MW148.16 g/mol
LogP1.68
Rot. Bonds1

About 2-(furan-2-yl)-1-methylimidazole

2-(furan-2-yl)-1-methylimidazole (PubChem CID 14469457) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is 2-(furan-2-yl)-1-methylimidazole.

Molecular Properties

Compound Name2-(furan-2-yl)-1-methylimidazole
PubChem CID14469457
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Name2-(furan-2-yl)-1-methylimidazole
SMILESCn1ccnc1-c1ccco1
InChIInChI=1S/C8H8N2O/c1-10-5-4-9-8(10)7-3-2-6-11-7/h2-6H,1H3
InChIKeyUGOAQQHDZUUWCE-UHFFFAOYSA-N
XLogP1.68
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-1-methylimidazole?
The IUPAC name of 2-(furan-2-yl)-1-methylimidazole (CID 14469457) is 2-(furan-2-yl)-1-methylimidazole.
What is the SMILES notation for 2-(furan-2-yl)-1-methylimidazole?
The canonical SMILES for 2-(furan-2-yl)-1-methylimidazole is Cn1ccnc1-c1ccco1.
What is the InChIKey of 2-(furan-2-yl)-1-methylimidazole?
The InChIKey is UGOAQQHDZUUWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O/c1-10-5-4-9-8(10)7-3-2-6-11-7/h2-6H,1H3.
What are the key properties of 2-(furan-2-yl)-1-methylimidazole?
2-(furan-2-yl)-1-methylimidazole has a molecular weight of 148.16 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-1-methylimidazole is sourced from PubChem (CID 14469457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).