2-(3-methyl-4H-imidazol-2-ylidene)imidazole

C7H8N4 — CID 69292684

IUPAC2-(3-methyl-4H-imidazol-2-ylidene)imidazole
SMILESCN1CC=NC1=C1N=CC=N1
InChIInChI=1S/C7H8N4/c1-11-5-4-10-7(11)6-8-2-3-9-6/h2-4H,5H2,1H3
InChIKeyZSGONKKXVMUZLT-UHFFFAOYSA-N
MW148.17 g/mol
LogP0.28
Rot. Bonds

About 2-(3-methyl-4H-imidazol-2-ylidene)imidazole

2-(3-methyl-4H-imidazol-2-ylidene)imidazole (PubChem CID 69292684) has the molecular formula C7H8N4 and a molecular weight of 148.17 g/mol. Its IUPAC name is 2-(3-methyl-4H-imidazol-2-ylidene)imidazole.

Molecular Properties

Compound Name2-(3-methyl-4H-imidazol-2-ylidene)imidazole
PubChem CID69292684
Molecular FormulaC7H8N4
Molecular Weight148.17 g/mol
Exact Mass148.07
IUPAC Name2-(3-methyl-4H-imidazol-2-ylidene)imidazole
SMILESCN1CC=NC1=C1N=CC=N1
InChIInChI=1S/C7H8N4/c1-11-5-4-10-7(11)6-8-2-3-9-6/h2-4H,5H2,1H3
InChIKeyZSGONKKXVMUZLT-UHFFFAOYSA-N
XLogP0.28
TPSA40.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.17
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4H-imidazol-2-ylidene)imidazole?
The IUPAC name of 2-(3-methyl-4H-imidazol-2-ylidene)imidazole (CID 69292684) is 2-(3-methyl-4H-imidazol-2-ylidene)imidazole.
What is the SMILES notation for 2-(3-methyl-4H-imidazol-2-ylidene)imidazole?
The canonical SMILES for 2-(3-methyl-4H-imidazol-2-ylidene)imidazole is CN1CC=NC1=C1N=CC=N1.
What is the InChIKey of 2-(3-methyl-4H-imidazol-2-ylidene)imidazole?
The InChIKey is ZSGONKKXVMUZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4/c1-11-5-4-10-7(11)6-8-2-3-9-6/h2-4H,5H2,1H3.
What are the key properties of 2-(3-methyl-4H-imidazol-2-ylidene)imidazole?
2-(3-methyl-4H-imidazol-2-ylidene)imidazole has a molecular weight of 148.17 g/mol, XLogP of 0.28, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4H-imidazol-2-ylidene)imidazole is sourced from PubChem (CID 69292684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).