5-chloro-1-methyl-4,5-dihydroimidazole

C4H7ClN2 — CID 123739237

IUPAC5-chloro-1-methyl-4,5-dihydroimidazole
SMILESCN1C=NCC1Cl
InChIInChI=1S/C4H7ClN2/c1-7-3-6-2-4(7)5/h3-4H,2H2,1H3
InChIKeyZSEGGBIZFPHBHA-UHFFFAOYSA-N
MW118.57 g/mol
LogP0.52
Rot. Bonds

About 5-chloro-1-methyl-4,5-dihydroimidazole

5-chloro-1-methyl-4,5-dihydroimidazole (PubChem CID 123739237) has the molecular formula C4H7ClN2 and a molecular weight of 118.57 g/mol. Its IUPAC name is 5-chloro-1-methyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name5-chloro-1-methyl-4,5-dihydroimidazole
PubChem CID123739237
Molecular FormulaC4H7ClN2
Molecular Weight118.57 g/mol
Exact Mass118.03
IUPAC Name5-chloro-1-methyl-4,5-dihydroimidazole
SMILESCN1C=NCC1Cl
InChIInChI=1S/C4H7ClN2/c1-7-3-6-2-4(7)5/h3-4H,2H2,1H3
InChIKeyZSEGGBIZFPHBHA-UHFFFAOYSA-N
XLogP0.52
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.57
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-4,5-dihydroimidazole?
The IUPAC name of 5-chloro-1-methyl-4,5-dihydroimidazole (CID 123739237) is 5-chloro-1-methyl-4,5-dihydroimidazole.
What is the SMILES notation for 5-chloro-1-methyl-4,5-dihydroimidazole?
The canonical SMILES for 5-chloro-1-methyl-4,5-dihydroimidazole is CN1C=NCC1Cl.
What is the InChIKey of 5-chloro-1-methyl-4,5-dihydroimidazole?
The InChIKey is ZSEGGBIZFPHBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7ClN2/c1-7-3-6-2-4(7)5/h3-4H,2H2,1H3.
What are the key properties of 5-chloro-1-methyl-4,5-dihydroimidazole?
5-chloro-1-methyl-4,5-dihydroimidazole has a molecular weight of 118.57 g/mol, XLogP of 0.52, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-4,5-dihydroimidazole is sourced from PubChem (CID 123739237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).