1-(1-methylimidazol-2-yl)-5-thiophen-2-ylpentan-2-one

C13H16N2OS — CID 105116298

IUPAC1-(1-methylimidazol-2-yl)-5-thiophen-2-ylpentan-2-one
SMILESCn1ccnc1CC(=O)CCCc1cccs1
InChIInChI=1S/C13H16N2OS/c1-15-8-7-14-13(15)10-11(16)4-2-5-12-6-3-9-17-12/h3,6-9H,2,4-5,10H2,1H3
InChIKeyALHFURLQDMTDMG-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.62
Rot. Bonds6

About 1-(1-methylimidazol-2-yl)-5-thiophen-2-ylpentan-2-one

1-(1-methylimidazol-2-yl)-5-thiophen-2-ylpentan-2-one (PubChem CID 105116298) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 1-(1-methylimidazol-2-yl)-5-thiophen-2-ylpentan-2-one.

Molecular Properties

Compound Name1-(1-methylimidazol-2-yl)-5-thiophen-2-ylpentan-2-one
PubChem CID105116298
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name1-(1-methylimidazol-2-yl)-5-thiophen-2-ylpentan-2-one
SMILESCn1ccnc1CC(=O)CCCc1cccs1
InChIInChI=1S/C13H16N2OS/c1-15-8-7-14-13(15)10-11(16)4-2-5-12-6-3-9-17-12/h3,6-9H,2,4-5,10H2,1H3
InChIKeyALHFURLQDMTDMG-UHFFFAOYSA-N
XLogP2.62
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(1-methylimidazol-2-yl)-5-thiophen-2-ylpentan-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

Related Compounds

1-(1-methylimidazol-2-yl)-5-thiophen-2-ylpentan-2-ol
CID 105113589
1-(1-methylimidazol-2-yl)heptan-2-one
CID 115580314
N-(1-methylimidazol-2-yl)-2-thiophen-2-ylacetamide
CID 110472554
1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-5-thiophen-2-ylpentan-2-one
CID 105107726
N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 55144234
1-(1-methylimidazol-2-yl)heptan-4-one
CID 79761318
2-[1-(2-thiophen-2-ylethyl)imidazol-2-yl]ethanamine
CID 63773737
1-(4-chlorophenyl)-5-thiophen-2-ylpentan-2-one
CID 61078054
1-(2,5-dimethylphenyl)-5-thiophen-2-ylpentan-2-one
CID 62538353
4-[(1-methylimidazol-2-yl)methoxy]-N,N-bis(thiophen-2-ylmethyl)benzamide
CID 55876159
3-oxo-6-thiophen-2-ylhexanenitrile
CID 28905616
6-hydroxy-1-(1-methylimidazol-2-yl)hexan-3-one
CID 106677652

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazol-2-yl)-5-thiophen-2-ylpentan-2-one?
The IUPAC name of 1-(1-methylimidazol-2-yl)-5-thiophen-2-ylpentan-2-one (CID 105116298) is 1-(1-methylimidazol-2-yl)-5-thiophen-2-ylpentan-2-one.
What is the SMILES notation for 1-(1-methylimidazol-2-yl)-5-thiophen-2-ylpentan-2-one?
The canonical SMILES for 1-(1-methylimidazol-2-yl)-5-thiophen-2-ylpentan-2-one is Cn1ccnc1CC(=O)CCCc1cccs1.
What is the InChIKey of 1-(1-methylimidazol-2-yl)-5-thiophen-2-ylpentan-2-one?
The InChIKey is ALHFURLQDMTDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-15-8-7-14-13(15)10-11(16)4-2-5-12-6-3-9-17-12/h3,6-9H,2,4-5,10H2,1H3.
What are the key properties of 1-(1-methylimidazol-2-yl)-5-thiophen-2-ylpentan-2-one?
1-(1-methylimidazol-2-yl)-5-thiophen-2-ylpentan-2-one has a molecular weight of 248.35 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimidazol-2-yl)-5-thiophen-2-ylpentan-2-one is sourced from PubChem (CID 105116298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).