1-(furan-2-yl)-3-(1-methylimidazol-2-yl)propan-1-one

C11H12N2O2 — CID 114529476

IUPAC1-(furan-2-yl)-3-(1-methylimidazol-2-yl)propan-1-one
SMILESCn1ccnc1CCC(=O)c1ccco1
InChIInChI=1S/C11H12N2O2/c1-13-7-6-12-11(13)5-4-9(14)10-3-2-8-15-10/h2-3,6-8H,4-5H2,1H3
InChIKeyFTDZGHJXFBKRBJ-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.83
Rot. Bonds4

About 1-(furan-2-yl)-3-(1-methylimidazol-2-yl)propan-1-one

1-(furan-2-yl)-3-(1-methylimidazol-2-yl)propan-1-one (PubChem CID 114529476) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 1-(furan-2-yl)-3-(1-methylimidazol-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(furan-2-yl)-3-(1-methylimidazol-2-yl)propan-1-one
PubChem CID114529476
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name1-(furan-2-yl)-3-(1-methylimidazol-2-yl)propan-1-one
SMILESCn1ccnc1CCC(=O)c1ccco1
InChIInChI=1S/C11H12N2O2/c1-13-7-6-12-11(13)5-4-9(14)10-3-2-8-15-10/h2-3,6-8H,4-5H2,1H3
InChIKeyFTDZGHJXFBKRBJ-UHFFFAOYSA-N
XLogP1.83
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(furan-2-yl)-3-(1-methylimidazol-2-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-methylfuran-3-yl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 114529651
2-(2-ethylimidazol-1-yl)-1-(furan-2-yl)ethanone
CID 61405119
1-(furan-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-one
CID 103007384
1-(2-bromophenyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 114529457
3-(furan-2-yl)-1-(1-methylimidazol-2-yl)propan-1-one
CID 105101081
1-(7-bromo-1-benzofuran-2-yl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 105133836
1-(4-aminophenyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 114533179
3-(1-methylimidazol-2-yl)-1-naphthalen-1-ylpropan-1-one
CID 114529474
1-(1-methylimidazol-2-yl)-5-(4-methylphenyl)pentan-3-one
CID 105133851
3-(1-methylimidazol-2-yl)-1-(2,4,6-trimethylphenyl)propan-1-one
CID 115811872
1-(2,6-dimethyl-3-pyridinyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 105133820
1-(2,5-dimethylfuran-3-yl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 115811905

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-3-(1-methylimidazol-2-yl)propan-1-one?
The IUPAC name of 1-(furan-2-yl)-3-(1-methylimidazol-2-yl)propan-1-one (CID 114529476) is 1-(furan-2-yl)-3-(1-methylimidazol-2-yl)propan-1-one.
What is the SMILES notation for 1-(furan-2-yl)-3-(1-methylimidazol-2-yl)propan-1-one?
The canonical SMILES for 1-(furan-2-yl)-3-(1-methylimidazol-2-yl)propan-1-one is Cn1ccnc1CCC(=O)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-3-(1-methylimidazol-2-yl)propan-1-one?
The InChIKey is FTDZGHJXFBKRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-13-7-6-12-11(13)5-4-9(14)10-3-2-8-15-10/h2-3,6-8H,4-5H2,1H3.
What are the key properties of 1-(furan-2-yl)-3-(1-methylimidazol-2-yl)propan-1-one?
1-(furan-2-yl)-3-(1-methylimidazol-2-yl)propan-1-one has a molecular weight of 204.23 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-3-(1-methylimidazol-2-yl)propan-1-one is sourced from PubChem (CID 114529476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).