2-chloro-1,3-dimethyl-4,5-dihydroimidazol-1-ium chloride

C5H10Cl2N2 — CID 10176306

IUPAC2-chloro-1,3-dimethyl-4,5-dihydroimidazol-1-ium chloride
SMILESCN1CC[N+](C)=C1Cl.[Cl-]
InChIInChI=1S/C5H10ClN2.ClH/c1-7-3-4-8(2)5(7)6;/h3-4H2,1-2H3;1H/q+1;/p-1
InChIKeyAEBBXVHGVADBHA-UHFFFAOYSA-M
MW169.06 g/mol
LogP-2.83
Rot. Bonds

About 2-chloro-1,3-dimethyl-4,5-dihydroimidazol-1-ium chloride

2-chloro-1,3-dimethyl-4,5-dihydroimidazol-1-ium chloride (PubChem CID 10176306) has the molecular formula C5H10Cl2N2 and a molecular weight of 169.06 g/mol. Its IUPAC name is 2-chloro-1,3-dimethyl-4,5-dihydroimidazol-1-ium chloride.

Molecular Properties

Compound Name2-chloro-1,3-dimethyl-4,5-dihydroimidazol-1-ium chloride
PubChem CID10176306
Molecular FormulaC5H10Cl2N2
Molecular Weight169.06 g/mol
Exact Mass168.02
IUPAC Name2-chloro-1,3-dimethyl-4,5-dihydroimidazol-1-ium chloride
SMILESCN1CC[N+](C)=C1Cl.[Cl-]
InChIInChI=1S/C5H10ClN2.ClH/c1-7-3-4-8(2)5(7)6;/h3-4H2,1-2H3;1H/q+1;/p-1
InChIKeyAEBBXVHGVADBHA-UHFFFAOYSA-M
XLogP-2.83
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.06
LogP ≤ 5-2.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,3-dimethyl-4,5-dihydroimidazol-1-ium chloride?
The IUPAC name of 2-chloro-1,3-dimethyl-4,5-dihydroimidazol-1-ium chloride (CID 10176306) is 2-chloro-1,3-dimethyl-4,5-dihydroimidazol-1-ium chloride.
What is the SMILES notation for 2-chloro-1,3-dimethyl-4,5-dihydroimidazol-1-ium chloride?
The canonical SMILES for 2-chloro-1,3-dimethyl-4,5-dihydroimidazol-1-ium chloride is CN1CC[N+](C)=C1Cl.[Cl-].
What is the InChIKey of 2-chloro-1,3-dimethyl-4,5-dihydroimidazol-1-ium chloride?
The InChIKey is AEBBXVHGVADBHA-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H10ClN2.ClH/c1-7-3-4-8(2)5(7)6;/h3-4H2,1-2H3;1H/q+1;/p-1.
What are the key properties of 2-chloro-1,3-dimethyl-4,5-dihydroimidazol-1-ium chloride?
2-chloro-1,3-dimethyl-4,5-dihydroimidazol-1-ium chloride has a molecular weight of 169.06 g/mol, XLogP of -2.83, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,3-dimethyl-4,5-dihydroimidazol-1-ium chloride is sourced from PubChem (CID 10176306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).