1-(2-chloro-2-thiophen-2-ylethyl)imidazole

C9H9ClN2S — CID 19870532

IUPAC1-(2-chloro-2-thiophen-2-ylethyl)imidazole
SMILESClC(Cn1ccnc1)c1cccs1
InChIInChI=1S/C9H9ClN2S/c10-8(9-2-1-5-13-9)6-12-4-3-11-7-12/h1-5,7-8H,6H2
InChIKeyNCAUJSYZQLLVMU-UHFFFAOYSA-N
MW212.71 g/mol
LogP2.92
Rot. Bonds3

About 1-(2-chloro-2-thiophen-2-ylethyl)imidazole

1-(2-chloro-2-thiophen-2-ylethyl)imidazole (PubChem CID 19870532) has the molecular formula C9H9ClN2S and a molecular weight of 212.71 g/mol. Its IUPAC name is 1-(2-chloro-2-thiophen-2-ylethyl)imidazole.

Molecular Properties

Compound Name1-(2-chloro-2-thiophen-2-ylethyl)imidazole
PubChem CID19870532
Molecular FormulaC9H9ClN2S
Molecular Weight212.71 g/mol
Exact Mass212.02
IUPAC Name1-(2-chloro-2-thiophen-2-ylethyl)imidazole
SMILESClC(Cn1ccnc1)c1cccs1
InChIInChI=1S/C9H9ClN2S/c10-8(9-2-1-5-13-9)6-12-4-3-11-7-12/h1-5,7-8H,6H2
InChIKeyNCAUJSYZQLLVMU-UHFFFAOYSA-N
XLogP2.92
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.71
LogP ≤ 52.92
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

2-imidazol-1-yl-1-thiophen-2-ylethanethiol
CID 57037505
(1S)-3-imidazol-1-yl-1-thiophen-2-ylpropan-1-ol
CID 129406015
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-imidazol-1-ylethanamine
CID 61324705
2-(1-imidazol-1-ylpropan-2-ylamino)-1-thiophen-2-ylethanol
CID 54958917
N-(2-imidazol-1-ylethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 60697416
1-(2-chloro-2-naphthalen-2-ylethyl)imidazole
CID 12698973
N-[cyclopentyl(thiophen-2-yl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 43773858
N-(3-imidazol-1-ylpropyl)thiophen-2-amine
CID 91018147
1-[2-chloro-2-(2,4-difluorophenyl)ethyl]imidazole
CID 21402230
2-imidazol-1-yl-1-thiophen-2-ylethanone
CID 14264751
1-(2-chloro-4-thiophen-3-ylbutyl)imidazole
CID 23457744
1-[2-(2,4-dichlorophenyl)-2-(thiophen-2-ylmethoxy)ethyl]imidazole;hydrochloride
CID 21393926

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-2-thiophen-2-ylethyl)imidazole?
The IUPAC name of 1-(2-chloro-2-thiophen-2-ylethyl)imidazole (CID 19870532) is 1-(2-chloro-2-thiophen-2-ylethyl)imidazole.
What is the SMILES notation for 1-(2-chloro-2-thiophen-2-ylethyl)imidazole?
The canonical SMILES for 1-(2-chloro-2-thiophen-2-ylethyl)imidazole is ClC(Cn1ccnc1)c1cccs1.
What is the InChIKey of 1-(2-chloro-2-thiophen-2-ylethyl)imidazole?
The InChIKey is NCAUJSYZQLLVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2S/c10-8(9-2-1-5-13-9)6-12-4-3-11-7-12/h1-5,7-8H,6H2.
What are the key properties of 1-(2-chloro-2-thiophen-2-ylethyl)imidazole?
1-(2-chloro-2-thiophen-2-ylethyl)imidazole has a molecular weight of 212.71 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-2-thiophen-2-ylethyl)imidazole is sourced from PubChem (CID 19870532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).