benzene;1,4-dimethylimidazole

C11H14N2 — CID 91025463

IUPACbenzene;1,4-dimethylimidazole
SMILESCc1cn(C)cn1.c1ccccc1
InChIInChI=1S/C6H6.C5H8N2/c1-2-4-6-5-3-1;1-5-3-7(2)4-6-5/h1-6H;3-4H,1-2H3
InChIKeySTVUCNBHNZFIME-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.42
Rot. Bonds

About benzene;1,4-dimethylimidazole

benzene;1,4-dimethylimidazole (PubChem CID 91025463) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is benzene;1,4-dimethylimidazole.

Molecular Properties

Compound Namebenzene;1,4-dimethylimidazole
PubChem CID91025463
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Namebenzene;1,4-dimethylimidazole
SMILESCc1cn(C)cn1.c1ccccc1
InChIInChI=1S/C6H6.C5H8N2/c1-2-4-6-5-3-1;1-5-3-7(2)4-6-5/h1-6H;3-4H,1-2H3
InChIKeySTVUCNBHNZFIME-UHFFFAOYSA-N
XLogP2.42
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzene;1,4-dimethylimidazole?
The IUPAC name of benzene;1,4-dimethylimidazole (CID 91025463) is benzene;1,4-dimethylimidazole.
What is the SMILES notation for benzene;1,4-dimethylimidazole?
The canonical SMILES for benzene;1,4-dimethylimidazole is Cc1cn(C)cn1.c1ccccc1.
What is the InChIKey of benzene;1,4-dimethylimidazole?
The InChIKey is STVUCNBHNZFIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C5H8N2/c1-2-4-6-5-3-1;1-5-3-7(2)4-6-5/h1-6H;3-4H,1-2H3.
What are the key properties of benzene;1,4-dimethylimidazole?
benzene;1,4-dimethylimidazole has a molecular weight of 174.25 g/mol, XLogP of 2.42, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;1,4-dimethylimidazole is sourced from PubChem (CID 91025463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).