1-(1-chloroethyl)imidazole

C5H7ClN2 — CID 22400425

IUPAC1-(1-chloroethyl)imidazole
SMILESCC(Cl)n1ccnc1
InChIInChI=1S/C5H7ClN2/c1-5(6)8-3-2-7-4-8/h2-5H,1H3
InChIKeyLHDMKQUCMAHTCE-UHFFFAOYSA-N
MW130.58 g/mol
LogP1.64
Rot. Bonds1

About 1-(1-chloroethyl)imidazole

1-(1-chloroethyl)imidazole (PubChem CID 22400425) has the molecular formula C5H7ClN2 and a molecular weight of 130.58 g/mol. Its IUPAC name is 1-(1-chloroethyl)imidazole.

Molecular Properties

Compound Name1-(1-chloroethyl)imidazole
PubChem CID22400425
Molecular FormulaC5H7ClN2
Molecular Weight130.58 g/mol
Exact Mass130.03
IUPAC Name1-(1-chloroethyl)imidazole
SMILESCC(Cl)n1ccnc1
InChIInChI=1S/C5H7ClN2/c1-5(6)8-3-2-7-4-8/h2-5H,1H3
InChIKeyLHDMKQUCMAHTCE-UHFFFAOYSA-N
XLogP1.64
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.58
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-imidazol-1-yl-N,N-dimethylethanamine
CID 123720804
ethane;methane;1-propan-2-ylimidazole
CID 159501500
1-imidazol-1-ylethanol
CID 18366448
carbonic acid;1-propan-2-ylimidazole
CID 175084414
1-(1-nitrosoethyl)imidazole
CID 54257439
1-[chloro(ethylsulfanyl)methyl]imidazole;hydrochloride
CID 67670241
1-(dibromomethyl)imidazole
CID 175175892
2-imidazol-1-ylpropanoic acid
CID 16788764
1-(3-ethylpentan-2-yl)imidazole
CID 174620112
3-imidazol-1-yl-2-methylbutan-1-ol
CID 175456852
1-(4,4-dimethylpentan-2-yl)imidazole
CID 118984043
1-(2,2,5-trimethylhexan-3-yl)imidazole
CID 91156028

Frequently Asked Questions

What is the IUPAC name of 1-(1-chloroethyl)imidazole?
The IUPAC name of 1-(1-chloroethyl)imidazole (CID 22400425) is 1-(1-chloroethyl)imidazole.
What is the SMILES notation for 1-(1-chloroethyl)imidazole?
The canonical SMILES for 1-(1-chloroethyl)imidazole is CC(Cl)n1ccnc1.
What is the InChIKey of 1-(1-chloroethyl)imidazole?
The InChIKey is LHDMKQUCMAHTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN2/c1-5(6)8-3-2-7-4-8/h2-5H,1H3.
What are the key properties of 1-(1-chloroethyl)imidazole?
1-(1-chloroethyl)imidazole has a molecular weight of 130.58 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-chloroethyl)imidazole is sourced from PubChem (CID 22400425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).