2-(1H-imidazol-2-yl)-1-(2,4,6-trimethylphenyl)imidazole

C15H16N4 — CID 140703360

IUPAC2-(1H-imidazol-2-yl)-1-(2,4,6-trimethylphenyl)imidazole
SMILESCc1cc(C)c(-n2ccnc2-c2ncc[nH]2)c(C)c1
InChIInChI=1S/C15H16N4/c1-10-8-11(2)13(12(3)9-10)19-7-6-18-15(19)14-16-4-5-17-14/h4-9H,1-3H3,(H,16,17)
InChIKeyVSXKGLMAPHLFRT-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.19
Rot. Bonds2

About 2-(1H-imidazol-2-yl)-1-(2,4,6-trimethylphenyl)imidazole

2-(1H-imidazol-2-yl)-1-(2,4,6-trimethylphenyl)imidazole (PubChem CID 140703360) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-(1H-imidazol-2-yl)-1-(2,4,6-trimethylphenyl)imidazole.

Molecular Properties

Compound Name2-(1H-imidazol-2-yl)-1-(2,4,6-trimethylphenyl)imidazole
PubChem CID140703360
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name2-(1H-imidazol-2-yl)-1-(2,4,6-trimethylphenyl)imidazole
SMILESCc1cc(C)c(-n2ccnc2-c2ncc[nH]2)c(C)c1
InChIInChI=1S/C15H16N4/c1-10-8-11(2)13(12(3)9-10)19-7-6-18-15(19)14-16-4-5-17-14/h4-9H,1-3H3,(H,16,17)
InChIKeyVSXKGLMAPHLFRT-UHFFFAOYSA-N
XLogP3.19
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

chlorosilver;2-(2,4,6-trimethylphenyl)-1H-imidazole
CID 174760743
lithium 1-(2,4,6-trimethylphenyl)imidazole-2-selenolate
CID 102492610
2-(2,4,6-trimethylphenyl)-1H-imidazole;1,2-xylene
CID 175460608
ditert-butyl-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]phosphane
CID 11370929
2-[2-(2-methylbutan-2-yl)phenyl]-1-(2,4,6-trimethylphenyl)imidazole
CID 143943961
2-(1H-imidazol-2-yl)-1-[4-(1H-pyrazol-4-yl)phenyl]imidazole
CID 70775814
2-(2,5-dimethylphenyl)-1H-imidazole
CID 55253579
iridium;2-(3-isocyanobenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)imidazole
CID 58947288
2-(2,3-dimethyl-1-benzothiophen-7-yl)-1-(2,4,6-trimethylphenyl)imidazole
CID 159306749
2-[(1S)-1-(2,4,6-trimethylphenyl)ethyl]-1H-imidazole
CID 124562144
iridium;oxalic acid;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole
CID 153499828
2-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]sulfanylacetic acid
CID 29063379

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-yl)-1-(2,4,6-trimethylphenyl)imidazole?
The IUPAC name of 2-(1H-imidazol-2-yl)-1-(2,4,6-trimethylphenyl)imidazole (CID 140703360) is 2-(1H-imidazol-2-yl)-1-(2,4,6-trimethylphenyl)imidazole.
What is the SMILES notation for 2-(1H-imidazol-2-yl)-1-(2,4,6-trimethylphenyl)imidazole?
The canonical SMILES for 2-(1H-imidazol-2-yl)-1-(2,4,6-trimethylphenyl)imidazole is Cc1cc(C)c(-n2ccnc2-c2ncc[nH]2)c(C)c1.
What is the InChIKey of 2-(1H-imidazol-2-yl)-1-(2,4,6-trimethylphenyl)imidazole?
The InChIKey is VSXKGLMAPHLFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-10-8-11(2)13(12(3)9-10)19-7-6-18-15(19)14-16-4-5-17-14/h4-9H,1-3H3,(H,16,17).
What are the key properties of 2-(1H-imidazol-2-yl)-1-(2,4,6-trimethylphenyl)imidazole?
2-(1H-imidazol-2-yl)-1-(2,4,6-trimethylphenyl)imidazole has a molecular weight of 252.32 g/mol, XLogP of 3.19, 2 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-(2,4,6-trimethylphenyl)imidazole is sourced from PubChem (CID 140703360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).