1-chloro-3-(2-thiophen-2-ylimidazol-1-yl)propan-2-ol

C10H11ClN2OS — CID 112560248

IUPAC1-chloro-3-(2-thiophen-2-ylimidazol-1-yl)propan-2-ol
SMILESOC(CCl)Cn1ccnc1-c1cccs1
InChIInChI=1S/C10H11ClN2OS/c11-6-8(14)7-13-4-3-12-10(13)9-2-1-5-15-9/h1-5,8,14H,6-7H2
InChIKeyYYZREQJIMDGXFS-UHFFFAOYSA-N
MW242.73 g/mol
LogP2.21
Rot. Bonds4

About 1-chloro-3-(2-thiophen-2-ylimidazol-1-yl)propan-2-ol

1-chloro-3-(2-thiophen-2-ylimidazol-1-yl)propan-2-ol (PubChem CID 112560248) has the molecular formula C10H11ClN2OS and a molecular weight of 242.73 g/mol. Its IUPAC name is 1-chloro-3-(2-thiophen-2-ylimidazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-chloro-3-(2-thiophen-2-ylimidazol-1-yl)propan-2-ol
PubChem CID112560248
Molecular FormulaC10H11ClN2OS
Molecular Weight242.73 g/mol
Exact Mass242.03
IUPAC Name1-chloro-3-(2-thiophen-2-ylimidazol-1-yl)propan-2-ol
SMILESOC(CCl)Cn1ccnc1-c1cccs1
InChIInChI=1S/C10H11ClN2OS/c11-6-8(14)7-13-4-3-12-10(13)9-2-1-5-15-9/h1-5,8,14H,6-7H2
InChIKeyYYZREQJIMDGXFS-UHFFFAOYSA-N
XLogP2.21
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.73
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(tert-butylamino)-3-(2-thiophen-2-ylimidazol-1-yl)propan-2-ol
CID 115475685
1-(4-fluorophenyl)-2-(2-thiophen-2-ylimidazol-1-yl)ethanol
CID 109411319
1-(6-chlorohexyl)-2-thiophen-2-ylimidazole
CID 55053624
1-(2-bromo-3,3,3-trifluoropropyl)-2-thiophen-2-ylimidazole
CID 64756890
4-[1-hydroxy-2-(2-thiophen-2-ylimidazol-1-yl)ethyl]benzonitrile
CID 109411315
2-methyl-3-(2-thiophen-2-ylimidazol-1-yl)propanehydrazide
CID 63582623
1-(1H-indol-4-yloxy)-3-(2-thiophen-2-ylimidazol-1-yl)propan-2-ol
CID 75514070
N-propyl-1-(2-thiophen-2-ylimidazol-1-yl)butan-2-amine
CID 62041227
6-(2-thiophen-2-ylimidazol-1-yl)hexan-1-ol
CID 113353810
1-[(4-ethylphenyl)methyl]-2-thiophen-2-ylimidazole
CID 116621535
1-(4-methylpentyl)-2-thiophen-2-ylimidazole
CID 116621649
1-(3-methylbut-3-enyl)-2-thiophen-2-ylimidazole
CID 114476766

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(2-thiophen-2-ylimidazol-1-yl)propan-2-ol?
The IUPAC name of 1-chloro-3-(2-thiophen-2-ylimidazol-1-yl)propan-2-ol (CID 112560248) is 1-chloro-3-(2-thiophen-2-ylimidazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-chloro-3-(2-thiophen-2-ylimidazol-1-yl)propan-2-ol?
The canonical SMILES for 1-chloro-3-(2-thiophen-2-ylimidazol-1-yl)propan-2-ol is OC(CCl)Cn1ccnc1-c1cccs1.
What is the InChIKey of 1-chloro-3-(2-thiophen-2-ylimidazol-1-yl)propan-2-ol?
The InChIKey is YYZREQJIMDGXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2OS/c11-6-8(14)7-13-4-3-12-10(13)9-2-1-5-15-9/h1-5,8,14H,6-7H2.
What are the key properties of 1-chloro-3-(2-thiophen-2-ylimidazol-1-yl)propan-2-ol?
1-chloro-3-(2-thiophen-2-ylimidazol-1-yl)propan-2-ol has a molecular weight of 242.73 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(2-thiophen-2-ylimidazol-1-yl)propan-2-ol is sourced from PubChem (CID 112560248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).