1-[(3,5-dimethylphenyl)methyl]imidazole

C12H14N2 — CID 53320468

IUPAC1-[(3,5-dimethylphenyl)methyl]imidazole
SMILESCc1cc(C)cc(Cn2ccnc2)c1
InChIInChI=1S/C12H14N2/c1-10-5-11(2)7-12(6-10)8-14-4-3-13-9-14/h3-7,9H,8H2,1-2H3
InChIKeyUGFGJGUPNOPTLK-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.55
Rot. Bonds2

About 1-[(3,5-dimethylphenyl)methyl]imidazole

1-[(3,5-dimethylphenyl)methyl]imidazole (PubChem CID 53320468) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 1-[(3,5-dimethylphenyl)methyl]imidazole.

Molecular Properties

Compound Name1-[(3,5-dimethylphenyl)methyl]imidazole
PubChem CID53320468
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name1-[(3,5-dimethylphenyl)methyl]imidazole
SMILESCc1cc(C)cc(Cn2ccnc2)c1
InChIInChI=1S/C12H14N2/c1-10-5-11(2)7-12(6-10)8-14-4-3-13-9-14/h3-7,9H,8H2,1-2H3
InChIKeyUGFGJGUPNOPTLK-UHFFFAOYSA-N
XLogP2.55
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethylphenyl)methyl]imidazole?
The IUPAC name of 1-[(3,5-dimethylphenyl)methyl]imidazole (CID 53320468) is 1-[(3,5-dimethylphenyl)methyl]imidazole.
What is the SMILES notation for 1-[(3,5-dimethylphenyl)methyl]imidazole?
The canonical SMILES for 1-[(3,5-dimethylphenyl)methyl]imidazole is Cc1cc(C)cc(Cn2ccnc2)c1.
What is the InChIKey of 1-[(3,5-dimethylphenyl)methyl]imidazole?
The InChIKey is UGFGJGUPNOPTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-10-5-11(2)7-12(6-10)8-14-4-3-13-9-14/h3-7,9H,8H2,1-2H3.
What are the key properties of 1-[(3,5-dimethylphenyl)methyl]imidazole?
1-[(3,5-dimethylphenyl)methyl]imidazole has a molecular weight of 186.26 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethylphenyl)methyl]imidazole is sourced from PubChem (CID 53320468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).