1-(1-acetyl-2-butylimidazol-4-yl)propan-2-one

C12H18N2O2 — CID 23213393

IUPAC1-(1-acetyl-2-butylimidazol-4-yl)propan-2-one
SMILESCCCCc1nc(CC(C)=O)cn1C(C)=O
InChIInChI=1S/C12H18N2O2/c1-4-5-6-12-13-11(7-9(2)15)8-14(12)10(3)16/h8H,4-7H2,1-3H3
InChIKeyFPPYNHPCMKTMEI-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.02
Rot. Bonds5

About 1-(1-acetyl-2-butylimidazol-4-yl)propan-2-one

1-(1-acetyl-2-butylimidazol-4-yl)propan-2-one (PubChem CID 23213393) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-(1-acetyl-2-butylimidazol-4-yl)propan-2-one.

Molecular Properties

Compound Name1-(1-acetyl-2-butylimidazol-4-yl)propan-2-one
PubChem CID23213393
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-(1-acetyl-2-butylimidazol-4-yl)propan-2-one
SMILESCCCCc1nc(CC(C)=O)cn1C(C)=O
InChIInChI=1S/C12H18N2O2/c1-4-5-6-12-13-11(7-9(2)15)8-14(12)10(3)16/h8H,4-7H2,1-3H3
InChIKeyFPPYNHPCMKTMEI-UHFFFAOYSA-N
XLogP2.02
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(1-acetyl-2-butylimidazol-4-yl)propan-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetyl-2-butylimidazol-4-yl)propan-2-one?
The IUPAC name of 1-(1-acetyl-2-butylimidazol-4-yl)propan-2-one (CID 23213393) is 1-(1-acetyl-2-butylimidazol-4-yl)propan-2-one.
What is the SMILES notation for 1-(1-acetyl-2-butylimidazol-4-yl)propan-2-one?
The canonical SMILES for 1-(1-acetyl-2-butylimidazol-4-yl)propan-2-one is CCCCc1nc(CC(C)=O)cn1C(C)=O.
What is the InChIKey of 1-(1-acetyl-2-butylimidazol-4-yl)propan-2-one?
The InChIKey is FPPYNHPCMKTMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-4-5-6-12-13-11(7-9(2)15)8-14(12)10(3)16/h8H,4-7H2,1-3H3.
What are the key properties of 1-(1-acetyl-2-butylimidazol-4-yl)propan-2-one?
1-(1-acetyl-2-butylimidazol-4-yl)propan-2-one has a molecular weight of 222.29 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetyl-2-butylimidazol-4-yl)propan-2-one is sourced from PubChem (CID 23213393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).