4,5-dimethyl-1H-imidazol-1-ium-2-amine chloride

C5H10ClN3 — CID 70533834

IUPAC4,5-dimethyl-1H-imidazol-1-ium-2-amine chloride
SMILESCC1=C(C)[NH2+]C(N)=N1.[Cl-]
InChIInChI=1S/C5H9N3.ClH/c1-3-4(2)8-5(6)7-3;/h1-2H3,(H3,6,7,8);1H
InChIKeyOXIXRYQRQWMPDW-UHFFFAOYSA-N
MW147.61 g/mol
LogP-3.87
Rot. Bonds

About 4,5-dimethyl-1H-imidazol-1-ium-2-amine chloride

4,5-dimethyl-1H-imidazol-1-ium-2-amine chloride (PubChem CID 70533834) has the molecular formula C5H10ClN3 and a molecular weight of 147.61 g/mol. Its IUPAC name is 4,5-dimethyl-1H-imidazol-1-ium-2-amine chloride.

Molecular Properties

Compound Name4,5-dimethyl-1H-imidazol-1-ium-2-amine chloride
PubChem CID70533834
Molecular FormulaC5H10ClN3
Molecular Weight147.61 g/mol
Exact Mass147.06
IUPAC Name4,5-dimethyl-1H-imidazol-1-ium-2-amine chloride
SMILESCC1=C(C)[NH2+]C(N)=N1.[Cl-]
InChIInChI=1S/C5H9N3.ClH/c1-3-4(2)8-5(6)7-3;/h1-2H3,(H3,6,7,8);1H
InChIKeyOXIXRYQRQWMPDW-UHFFFAOYSA-N
XLogP-3.87
TPSA54.99 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.61
LogP ≤ 5-3.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-Dimethyl-1,2-dihydroimidazol-2-ide;yttrium
CID 58625856
4,5-Dimethyl-1,2-dihydroimidazol-2-ide;rhodium
CID 156809665
3,4,5-Trimethyl-1,2-dihydroimidazol-3-ium-2-ide
CID 57738604

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-1H-imidazol-1-ium-2-amine chloride?
The IUPAC name of 4,5-dimethyl-1H-imidazol-1-ium-2-amine chloride (CID 70533834) is 4,5-dimethyl-1H-imidazol-1-ium-2-amine chloride.
What is the SMILES notation for 4,5-dimethyl-1H-imidazol-1-ium-2-amine chloride?
The canonical SMILES for 4,5-dimethyl-1H-imidazol-1-ium-2-amine chloride is CC1=C(C)[NH2+]C(N)=N1.[Cl-].
What is the InChIKey of 4,5-dimethyl-1H-imidazol-1-ium-2-amine chloride?
The InChIKey is OXIXRYQRQWMPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3.ClH/c1-3-4(2)8-5(6)7-3;/h1-2H3,(H3,6,7,8);1H.
What are the key properties of 4,5-dimethyl-1H-imidazol-1-ium-2-amine chloride?
4,5-dimethyl-1H-imidazol-1-ium-2-amine chloride has a molecular weight of 147.61 g/mol, XLogP of -3.87, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-1H-imidazol-1-ium-2-amine chloride is sourced from PubChem (CID 70533834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).