2-[(3,5-dimethylphenyl)methyl]-1H-imidazole

C12H14N2 — CID 174788270

IUPAC2-[(3,5-dimethylphenyl)methyl]-1H-imidazole
SMILESCc1cc(C)cc(Cc2ncc[nH]2)c1
InChIInChI=1S/C12H14N2/c1-9-5-10(2)7-11(6-9)8-12-13-3-4-14-12/h3-7H,8H2,1-2H3,(H,13,14)
InChIKeyBNNMTCKUVBHSKX-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.62
Rot. Bonds2

About 2-[(3,5-dimethylphenyl)methyl]-1H-imidazole

2-[(3,5-dimethylphenyl)methyl]-1H-imidazole (PubChem CID 174788270) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 2-[(3,5-dimethylphenyl)methyl]-1H-imidazole.

Molecular Properties

Compound Name2-[(3,5-dimethylphenyl)methyl]-1H-imidazole
PubChem CID174788270
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name2-[(3,5-dimethylphenyl)methyl]-1H-imidazole
SMILESCc1cc(C)cc(Cc2ncc[nH]2)c1
InChIInChI=1S/C12H14N2/c1-9-5-10(2)7-11(6-9)8-12-13-3-4-14-12/h3-7H,8H2,1-2H3,(H,13,14)
InChIKeyBNNMTCKUVBHSKX-UHFFFAOYSA-N
XLogP2.62
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

acetonitrile;2-benzyl-1H-imidazole
CID 23033706
4-(1H-imidazol-2-ylmethyl)benzenethiol
CID 174396584
2-[(4-fluoro-2,6-dimethylphenyl)methyl]-1H-imidazole
CID 58951735
5-(1H-imidazol-2-ylmethyl)-1H-indole
CID 66707386
2-[3-(1H-imidazol-2-ylmethyl)phenyl]acetaldehyde
CID 87890417
ethane;2-ethyl-1H-imidazole
CID 144736598
2-ethyl-1H-imidazole;dihydroiodide
CID 175121589
bis(2-ethyl-1H-imidazole);hydrate
CID 70001211
2-benzyl-1H-imidazole;methanedithioic acid
CID 175933096
2-benzyl-1H-imidazole;iodic acid
CID 158114999
2-[(1,5-dimethylpyrrol-2-yl)methyl]-1H-imidazole
CID 170198207
3-[3-(3-ethoxy-3-oxopropyl)-5-(1H-imidazol-2-ylmethyl)phenyl]propanoic acid
CID 70341673

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethylphenyl)methyl]-1H-imidazole?
The IUPAC name of 2-[(3,5-dimethylphenyl)methyl]-1H-imidazole (CID 174788270) is 2-[(3,5-dimethylphenyl)methyl]-1H-imidazole.
What is the SMILES notation for 2-[(3,5-dimethylphenyl)methyl]-1H-imidazole?
The canonical SMILES for 2-[(3,5-dimethylphenyl)methyl]-1H-imidazole is Cc1cc(C)cc(Cc2ncc[nH]2)c1.
What is the InChIKey of 2-[(3,5-dimethylphenyl)methyl]-1H-imidazole?
The InChIKey is BNNMTCKUVBHSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-9-5-10(2)7-11(6-9)8-12-13-3-4-14-12/h3-7H,8H2,1-2H3,(H,13,14).
What are the key properties of 2-[(3,5-dimethylphenyl)methyl]-1H-imidazole?
2-[(3,5-dimethylphenyl)methyl]-1H-imidazole has a molecular weight of 186.26 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethylphenyl)methyl]-1H-imidazole is sourced from PubChem (CID 174788270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).