4-imidazol-1-yl-1-thiophen-2-ylbutan-2-one;hydrochloride

C11H13ClN2OS — CID 67780593

IUPAC4-imidazol-1-yl-1-thiophen-2-ylbutan-2-one;hydrochloride
SMILESCl.O=C(CCn1ccnc1)Cc1cccs1
InChIInChI=1S/C11H12N2OS.ClH/c14-10(8-11-2-1-7-15-11)3-5-13-6-4-12-9-13;/h1-2,4,6-7,9H,3,5,8H2;1H
InChIKeyHLMFXPMVSOKLNF-UHFFFAOYSA-N
MW256.76 g/mol
LogP2.57
Rot. Bonds5

About 4-imidazol-1-yl-1-thiophen-2-ylbutan-2-one;hydrochloride

4-imidazol-1-yl-1-thiophen-2-ylbutan-2-one;hydrochloride (PubChem CID 67780593) has the molecular formula C11H13ClN2OS and a molecular weight of 256.76 g/mol. Its IUPAC name is 4-imidazol-1-yl-1-thiophen-2-ylbutan-2-one;hydrochloride.

Molecular Properties

Compound Name4-imidazol-1-yl-1-thiophen-2-ylbutan-2-one;hydrochloride
PubChem CID67780593
Molecular FormulaC11H13ClN2OS
Molecular Weight256.76 g/mol
Exact Mass256.04
IUPAC Name4-imidazol-1-yl-1-thiophen-2-ylbutan-2-one;hydrochloride
SMILESCl.O=C(CCn1ccnc1)Cc1cccs1
InChIInChI=1S/C11H12N2OS.ClH/c14-10(8-11-2-1-7-15-11)3-5-13-6-4-12-9-13;/h1-2,4,6-7,9H,3,5,8H2;1H
InChIKeyHLMFXPMVSOKLNF-UHFFFAOYSA-N
XLogP2.57
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.76
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-imidazol-1-yl-1-thiophen-2-ylbutan-2-one;hydrochloride 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

N-(2-imidazol-1-ylethyl)-2-thiophen-2-ylacetamide
CID 110472557
4-(dimethylamino)-1-thiophen-2-ylbutan-2-one;hydrochloride
CID 19830109
(1S)-3-imidazol-1-yl-1-thiophen-2-ylpropan-1-ol
CID 129406015
N-(4-imidazol-1-ylbutyl)thiophene-2-carboxamide
CID 13371093
(2S)-N-(3-imidazol-1-ylpropyl)-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 95739107
4-phenyl-1-thiophen-2-ylbutan-2-one
CID 61054077
5,5,5-trifluoro-1-thiophen-2-ylpentan-2-one
CID 64565094
3-imidazol-1-ylpropanoyl chloride
CID 19872160
3-imidazol-1-ylpropanoic acid;hydrate
CID 174578472
N-[(2-chlorophenyl)methyl]-3-imidazol-1-yl-N-(thiophen-2-ylmethyl)propan-1-amine;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 171671089
ethane;3-imidazol-1-ylpropanoic acid
CID 169203734
N-(3-imidazol-1-ylpropyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 51265544

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-1-thiophen-2-ylbutan-2-one;hydrochloride?
The IUPAC name of 4-imidazol-1-yl-1-thiophen-2-ylbutan-2-one;hydrochloride (CID 67780593) is 4-imidazol-1-yl-1-thiophen-2-ylbutan-2-one;hydrochloride.
What is the SMILES notation for 4-imidazol-1-yl-1-thiophen-2-ylbutan-2-one;hydrochloride?
The canonical SMILES for 4-imidazol-1-yl-1-thiophen-2-ylbutan-2-one;hydrochloride is Cl.O=C(CCn1ccnc1)Cc1cccs1.
What is the InChIKey of 4-imidazol-1-yl-1-thiophen-2-ylbutan-2-one;hydrochloride?
The InChIKey is HLMFXPMVSOKLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS.ClH/c14-10(8-11-2-1-7-15-11)3-5-13-6-4-12-9-13;/h1-2,4,6-7,9H,3,5,8H2;1H.
What are the key properties of 4-imidazol-1-yl-1-thiophen-2-ylbutan-2-one;hydrochloride?
4-imidazol-1-yl-1-thiophen-2-ylbutan-2-one;hydrochloride has a molecular weight of 256.76 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-1-thiophen-2-ylbutan-2-one;hydrochloride is sourced from PubChem (CID 67780593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).