2-(1H-imidazol-2-yl)-1,3-dimethyl-2H-imidazole

C8H12N4 — CID 69293618

IUPAC2-(1H-imidazol-2-yl)-1,3-dimethyl-2H-imidazole
SMILESCN1C=CN(C)C1c1ncc[nH]1
InChIInChI=1S/C8H12N4/c1-11-5-6-12(2)8(11)7-9-3-4-10-7/h3-6,8H,1-2H3,(H,9,10)
InChIKeyYTBSUKCUPXNGHL-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.76
Rot. Bonds1

About 2-(1H-imidazol-2-yl)-1,3-dimethyl-2H-imidazole

2-(1H-imidazol-2-yl)-1,3-dimethyl-2H-imidazole (PubChem CID 69293618) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is 2-(1H-imidazol-2-yl)-1,3-dimethyl-2H-imidazole.

Molecular Properties

Compound Name2-(1H-imidazol-2-yl)-1,3-dimethyl-2H-imidazole
PubChem CID69293618
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC Name2-(1H-imidazol-2-yl)-1,3-dimethyl-2H-imidazole
SMILESCN1C=CN(C)C1c1ncc[nH]1
InChIInChI=1S/C8H12N4/c1-11-5-6-12(2)8(11)7-9-3-4-10-7/h3-6,8H,1-2H3,(H,9,10)
InChIKeyYTBSUKCUPXNGHL-UHFFFAOYSA-N
XLogP0.76
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-yl)-1,3-dimethyl-2H-imidazole?
The IUPAC name of 2-(1H-imidazol-2-yl)-1,3-dimethyl-2H-imidazole (CID 69293618) is 2-(1H-imidazol-2-yl)-1,3-dimethyl-2H-imidazole.
What is the SMILES notation for 2-(1H-imidazol-2-yl)-1,3-dimethyl-2H-imidazole?
The canonical SMILES for 2-(1H-imidazol-2-yl)-1,3-dimethyl-2H-imidazole is CN1C=CN(C)C1c1ncc[nH]1.
What is the InChIKey of 2-(1H-imidazol-2-yl)-1,3-dimethyl-2H-imidazole?
The InChIKey is YTBSUKCUPXNGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4/c1-11-5-6-12(2)8(11)7-9-3-4-10-7/h3-6,8H,1-2H3,(H,9,10).
What are the key properties of 2-(1H-imidazol-2-yl)-1,3-dimethyl-2H-imidazole?
2-(1H-imidazol-2-yl)-1,3-dimethyl-2H-imidazole has a molecular weight of 164.21 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-yl)-1,3-dimethyl-2H-imidazole is sourced from PubChem (CID 69293618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).