4-(chloromethyl)-1-(2-thiophen-2-ylethyl)imidazole

C10H11ClN2S — CID 106720766

IUPAC4-(chloromethyl)-1-(2-thiophen-2-ylethyl)imidazole
SMILESClCc1cn(CCc2cccs2)cn1
InChIInChI=1S/C10H11ClN2S/c11-6-9-7-13(8-12-9)4-3-10-2-1-5-14-10/h1-2,5,7-8H,3-4,6H2
InChIKeyMIAKTYPTNPDIHD-UHFFFAOYSA-N
MW226.73 g/mol
LogP2.93
Rot. Bonds4

About 4-(chloromethyl)-1-(2-thiophen-2-ylethyl)imidazole

4-(chloromethyl)-1-(2-thiophen-2-ylethyl)imidazole (PubChem CID 106720766) has the molecular formula C10H11ClN2S and a molecular weight of 226.73 g/mol. Its IUPAC name is 4-(chloromethyl)-1-(2-thiophen-2-ylethyl)imidazole.

Molecular Properties

Compound Name4-(chloromethyl)-1-(2-thiophen-2-ylethyl)imidazole
PubChem CID106720766
Molecular FormulaC10H11ClN2S
Molecular Weight226.73 g/mol
Exact Mass226.03
IUPAC Name4-(chloromethyl)-1-(2-thiophen-2-ylethyl)imidazole
SMILESClCc1cn(CCc2cccs2)cn1
InChIInChI=1S/C10H11ClN2S/c11-6-9-7-13(8-12-9)4-3-10-2-1-5-14-10/h1-2,5,7-8H,3-4,6H2
InChIKeyMIAKTYPTNPDIHD-UHFFFAOYSA-N
XLogP2.93
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.73
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-(2-thiophen-2-ylethyl)imidazol-4-yl]methanamine
CID 82470461
2-[1-(2-thiophen-2-ylethyl)imidazol-4-yl]acetic acid
CID 82476422
1-(2-thiophen-2-ylethyl)imidazole-4-carbaldehyde
CID 106716533
4-(chloromethyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole
CID 106720678
6-chloro-3-(2-thiophen-2-ylethyl)pyrimidin-4-one
CID 114582136
5,6-dichloro-3-(2-thiophen-2-ylethyl)pyrimidin-4-one
CID 114583003
4-chloro-2-(chloromethyl)-1-(2-thiophen-2-ylethyl)benzimidazole
CID 104837421
2-(5-chloropentyl)thiophene
CID 4912993
2-(chloromethyl)-7-methyl-1-(2-thiophen-2-ylethyl)benzimidazole
CID 115552755
5,6-difluoro-1-(2-thiophen-2-ylethyl)benzimidazole
CID 113357701
(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-(2-thiophen-2-ylethyl)propanamide;dihydrochloride
CID 119687948
1-(2-thiophen-2-ylethyl)pyrazol-3-amine
CID 63773628

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-1-(2-thiophen-2-ylethyl)imidazole?
The IUPAC name of 4-(chloromethyl)-1-(2-thiophen-2-ylethyl)imidazole (CID 106720766) is 4-(chloromethyl)-1-(2-thiophen-2-ylethyl)imidazole.
What is the SMILES notation for 4-(chloromethyl)-1-(2-thiophen-2-ylethyl)imidazole?
The canonical SMILES for 4-(chloromethyl)-1-(2-thiophen-2-ylethyl)imidazole is ClCc1cn(CCc2cccs2)cn1.
What is the InChIKey of 4-(chloromethyl)-1-(2-thiophen-2-ylethyl)imidazole?
The InChIKey is MIAKTYPTNPDIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2S/c11-6-9-7-13(8-12-9)4-3-10-2-1-5-14-10/h1-2,5,7-8H,3-4,6H2.
What are the key properties of 4-(chloromethyl)-1-(2-thiophen-2-ylethyl)imidazole?
4-(chloromethyl)-1-(2-thiophen-2-ylethyl)imidazole has a molecular weight of 226.73 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1-(2-thiophen-2-ylethyl)imidazole is sourced from PubChem (CID 106720766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).