2-[(1S)-1-(2,4,6-trimethylphenyl)ethyl]-1H-imidazole

C14H18N2 — CID 124562144

IUPAC2-[(1S)-1-(2,4,6-trimethylphenyl)ethyl]-1H-imidazole
SMILESCc1cc(C)c([C@H](C)c2ncc[nH]2)c(C)c1
InChIInChI=1S/C14H18N2/c1-9-7-10(2)13(11(3)8-9)12(4)14-15-5-6-16-14/h5-8,12H,1-4H3,(H,15,16)/t12-/m0/s1
InChIKeyFGRFGWZESIDHNI-LBPRGKRZSA-N
MW214.31 g/mol
LogP3.49
Rot. Bonds2

About 2-[(1S)-1-(2,4,6-trimethylphenyl)ethyl]-1H-imidazole

2-[(1S)-1-(2,4,6-trimethylphenyl)ethyl]-1H-imidazole (PubChem CID 124562144) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-[(1S)-1-(2,4,6-trimethylphenyl)ethyl]-1H-imidazole.

Molecular Properties

Compound Name2-[(1S)-1-(2,4,6-trimethylphenyl)ethyl]-1H-imidazole
PubChem CID124562144
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name2-[(1S)-1-(2,4,6-trimethylphenyl)ethyl]-1H-imidazole
SMILESCc1cc(C)c([C@H](C)c2ncc[nH]2)c(C)c1
InChIInChI=1S/C14H18N2/c1-9-7-10(2)13(11(3)8-9)12(4)14-15-5-6-16-14/h5-8,12H,1-4H3,(H,15,16)/t12-/m0/s1
InChIKeyFGRFGWZESIDHNI-LBPRGKRZSA-N
XLogP3.49
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[(1S)-1-(2,4,6-trimethylphenyl)ethyl]-1H-imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-fluoro-4,6-dimethylphenyl)-(1H-imidazol-2-yl)methanol
CID 106881131
hydrazine;2-propan-2-yl-1H-imidazole
CID 158955026
chlorosilver;2-(2,4,6-trimethylphenyl)-1H-imidazole
CID 174760743
1-(1H-imidazol-2-yl)ethanamine;hydrochloride
CID 86811802
(1R)-1-(1H-imidazol-2-yl)-2-methylpropan-1-amine
CID 15343447
2-[1-(3-fluoro-2-methylphenyl)ethyl]-1H-imidazole
CID 66771238
2-(2,4,6-trimethylphenyl)-1H-imidazole;1,2-xylene
CID 175460608
2-[(2R)-butan-2-yl]-1H-imidazole
CID 89008830
2-[(1R)-1-(3-cyclopropylphenyl)ethyl]-1H-imidazole
CID 124562179
2-[(1S)-1-(3-ethyl-2-methylphenyl)ethyl]-1H-imidazole
CID 124562149
2-(2,5-dimethylphenyl)-1H-imidazole
CID 55253579
2-butan-2-yl-1H-imidazole;ethane
CID 156722843

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-(2,4,6-trimethylphenyl)ethyl]-1H-imidazole?
The IUPAC name of 2-[(1S)-1-(2,4,6-trimethylphenyl)ethyl]-1H-imidazole (CID 124562144) is 2-[(1S)-1-(2,4,6-trimethylphenyl)ethyl]-1H-imidazole.
What is the SMILES notation for 2-[(1S)-1-(2,4,6-trimethylphenyl)ethyl]-1H-imidazole?
The canonical SMILES for 2-[(1S)-1-(2,4,6-trimethylphenyl)ethyl]-1H-imidazole is Cc1cc(C)c([C@H](C)c2ncc[nH]2)c(C)c1.
What is the InChIKey of 2-[(1S)-1-(2,4,6-trimethylphenyl)ethyl]-1H-imidazole?
The InChIKey is FGRFGWZESIDHNI-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18N2/c1-9-7-10(2)13(11(3)8-9)12(4)14-15-5-6-16-14/h5-8,12H,1-4H3,(H,15,16)/t12-/m0/s1.
What are the key properties of 2-[(1S)-1-(2,4,6-trimethylphenyl)ethyl]-1H-imidazole?
2-[(1S)-1-(2,4,6-trimethylphenyl)ethyl]-1H-imidazole has a molecular weight of 214.31 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-(2,4,6-trimethylphenyl)ethyl]-1H-imidazole is sourced from PubChem (CID 124562144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).