1,3-dimethylimidazol-2-imine

C5H9N3 — CID 15361313

IUPAC1,3-dimethylimidazol-2-imine
SMILES[H]N=c1n(C)ccn1C
InChIInChI=1S/C5H9N3/c1-7-3-4-8(2)5(7)6/h3-4,6H,1-2H3
InChIKeyGRXHHYBJSBUHDU-UHFFFAOYSA-N
MW111.15 g/mol
LogP-0.16
Rot. Bonds

About 1,3-dimethylimidazol-2-imine

1,3-dimethylimidazol-2-imine (PubChem CID 15361313) has the molecular formula C5H9N3 and a molecular weight of 111.15 g/mol. Its IUPAC name is 1,3-dimethylimidazol-2-imine.

Molecular Properties

Compound Name1,3-dimethylimidazol-2-imine
PubChem CID15361313
Molecular FormulaC5H9N3
Molecular Weight111.15 g/mol
Exact Mass111.08
IUPAC Name1,3-dimethylimidazol-2-imine
SMILES[H]N=c1n(C)ccn1C
InChIInChI=1S/C5H9N3/c1-7-3-4-8(2)5(7)6/h3-4,6H,1-2H3
InChIKeyGRXHHYBJSBUHDU-UHFFFAOYSA-N
XLogP-0.16
TPSA33.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.15
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-Dihydro-1,3-dimethyl-2H-imidazol-2-ylidene
CID 10909490
1-(Difluoromethyl)-3-methylimidazol-2-imine
CID 167311186
1,3-Dimethylimidazol-2-imine;hydroiodide
CID 20530301
1-Ethyl-3-methyl-1H-imidazol-2(3H)-imine
CID 20668488
2-Hydrazono-1,3-dimethyl-2,3-dihydro-1H-imidazole
CID 20781463
N-(1,3-Dimethyl-1H-imidazol-2(3H)-ylidene)methanamine
CID 23104077
1-Methyl-3-propyl-1H-imidazol-2(3H)-imine
CID 45087779
(3-methyl-2H-imidazol-1-yl)methanamine
CID 67991227
Bis(1,2-dihydroimidazol-3-yl)methanimine
CID 68252791
2-Hydrazinylidene-1,3-dimethylimidazol-4-amine
CID 69117957
N,N-dimethylethenamine;guanidine
CID 87544412
2-Hydrazono-1,3-dimethyl-2,3-dihydro-1H-imidazol-4-amine
CID 87701973

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylimidazol-2-imine?
The IUPAC name of 1,3-dimethylimidazol-2-imine (CID 15361313) is 1,3-dimethylimidazol-2-imine.
What is the SMILES notation for 1,3-dimethylimidazol-2-imine?
The canonical SMILES for 1,3-dimethylimidazol-2-imine is [H]N=c1n(C)ccn1C.
What is the InChIKey of 1,3-dimethylimidazol-2-imine?
The InChIKey is GRXHHYBJSBUHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3/c1-7-3-4-8(2)5(7)6/h3-4,6H,1-2H3.
What are the key properties of 1,3-dimethylimidazol-2-imine?
1,3-dimethylimidazol-2-imine has a molecular weight of 111.15 g/mol, XLogP of -0.16, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylimidazol-2-imine is sourced from PubChem (CID 15361313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).