3-chloro-1,2-dihydroimidazole

C3H5ClN2 — CID 140976563

IUPAC3-chloro-1,2-dihydroimidazole
SMILESClN1C=CNC1
InChIInChI=1S/C3H5ClN2/c4-6-2-1-5-3-6/h1-2,5H,3H2
InChIKeyGIVRBSXBDLLVIR-UHFFFAOYSA-N
MW104.54 g/mol
LogP0.47
Rot. Bonds

About 3-chloro-1,2-dihydroimidazole

3-chloro-1,2-dihydroimidazole (PubChem CID 140976563) has the molecular formula C3H5ClN2 and a molecular weight of 104.54 g/mol. Its IUPAC name is 3-chloro-1,2-dihydroimidazole.

Molecular Properties

Compound Name3-chloro-1,2-dihydroimidazole
PubChem CID140976563
Molecular FormulaC3H5ClN2
Molecular Weight104.54 g/mol
Exact Mass104.01
IUPAC Name3-chloro-1,2-dihydroimidazole
SMILESClN1C=CNC1
InChIInChI=1S/C3H5ClN2/c4-6-2-1-5-3-6/h1-2,5H,3H2
InChIKeyGIVRBSXBDLLVIR-UHFFFAOYSA-N
XLogP0.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.54
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1,2-dihydroimidazole?
The IUPAC name of 3-chloro-1,2-dihydroimidazole (CID 140976563) is 3-chloro-1,2-dihydroimidazole.
What is the SMILES notation for 3-chloro-1,2-dihydroimidazole?
The canonical SMILES for 3-chloro-1,2-dihydroimidazole is ClN1C=CNC1.
What is the InChIKey of 3-chloro-1,2-dihydroimidazole?
The InChIKey is GIVRBSXBDLLVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5ClN2/c4-6-2-1-5-3-6/h1-2,5H,3H2.
What are the key properties of 3-chloro-1,2-dihydroimidazole?
3-chloro-1,2-dihydroimidazole has a molecular weight of 104.54 g/mol, XLogP of 0.47, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1,2-dihydroimidazole is sourced from PubChem (CID 140976563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).