1,2-dimethyl-4,5-dihydro-1H-imidazol-1-ium

C5H11N2+ — CID 18759389

IUPAC1,2-dimethyl-4,5-dihydro-1H-imidazol-1-ium
SMILESCC1=NCC[NH+]1C
InChIInChI=1S/C5H10N2/c1-5-6-3-4-7(5)2/h3-4H2,1-2H3/p+1
InChIKeyQEIHVTKMBYEXPZ-UHFFFAOYSA-O
MW99.16 g/mol
LogP-1.07
Rot. Bonds

About 1,2-dimethyl-4,5-dihydro-1H-imidazol-1-ium

1,2-dimethyl-4,5-dihydro-1H-imidazol-1-ium (PubChem CID 18759389) has the molecular formula C5H11N2+ and a molecular weight of 99.16 g/mol. Its IUPAC name is 1,2-dimethyl-4,5-dihydro-1H-imidazol-1-ium.

Molecular Properties

Compound Name1,2-dimethyl-4,5-dihydro-1H-imidazol-1-ium
PubChem CID18759389
Molecular FormulaC5H11N2+
Molecular Weight99.16 g/mol
Exact Mass99.09
IUPAC Name1,2-dimethyl-4,5-dihydro-1H-imidazol-1-ium
SMILESCC1=NCC[NH+]1C
InChIInChI=1S/C5H10N2/c1-5-6-3-4-7(5)2/h3-4H2,1-2H3/p+1
InChIKeyQEIHVTKMBYEXPZ-UHFFFAOYSA-O
XLogP-1.07
TPSA16.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.16
LogP ≤ 5-1.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4,5-dihydro-1H-imidazol-1-ium?
The IUPAC name of 1,2-dimethyl-4,5-dihydro-1H-imidazol-1-ium (CID 18759389) is 1,2-dimethyl-4,5-dihydro-1H-imidazol-1-ium.
What is the SMILES notation for 1,2-dimethyl-4,5-dihydro-1H-imidazol-1-ium?
The canonical SMILES for 1,2-dimethyl-4,5-dihydro-1H-imidazol-1-ium is CC1=NCC[NH+]1C.
What is the InChIKey of 1,2-dimethyl-4,5-dihydro-1H-imidazol-1-ium?
The InChIKey is QEIHVTKMBYEXPZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H10N2/c1-5-6-3-4-7(5)2/h3-4H2,1-2H3/p+1.
What are the key properties of 1,2-dimethyl-4,5-dihydro-1H-imidazol-1-ium?
1,2-dimethyl-4,5-dihydro-1H-imidazol-1-ium has a molecular weight of 99.16 g/mol, XLogP of -1.07, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4,5-dihydro-1H-imidazol-1-ium is sourced from PubChem (CID 18759389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).