5-[3-(2,6-dimethylphenyl)-2-methylprop-1-enyl]-1H-imidazole

C15H18N2 — CID 54135198

IUPAC5-[3-(2,6-dimethylphenyl)-2-methylprop-1-enyl]-1H-imidazole
SMILESCC(=Cc1cnc[nH]1)Cc1c(C)cccc1C
InChIInChI=1S/C15H18N2/c1-11(7-14-9-16-10-17-14)8-15-12(2)5-4-6-13(15)3/h4-7,9-10H,8H2,1-3H3,(H,16,17)
InChIKeyNXEQPMCUAHZCIJ-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.67
Rot. Bonds3

About 5-[3-(2,6-dimethylphenyl)-2-methylprop-1-enyl]-1H-imidazole

5-[3-(2,6-dimethylphenyl)-2-methylprop-1-enyl]-1H-imidazole (PubChem CID 54135198) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 5-[3-(2,6-dimethylphenyl)-2-methylprop-1-enyl]-1H-imidazole.

Molecular Properties

Compound Name5-[3-(2,6-dimethylphenyl)-2-methylprop-1-enyl]-1H-imidazole
PubChem CID54135198
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name5-[3-(2,6-dimethylphenyl)-2-methylprop-1-enyl]-1H-imidazole
SMILESCC(=Cc1cnc[nH]1)Cc1c(C)cccc1C
InChIInChI=1S/C15H18N2/c1-11(7-14-9-16-10-17-14)8-15-12(2)5-4-6-13(15)3/h4-7,9-10H,8H2,1-3H3,(H,16,17)
InChIKeyNXEQPMCUAHZCIJ-UHFFFAOYSA-N
XLogP3.67
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-[3-(2,6-dimethylphenyl)propyl]-1H-imidazole
CID 10420802
5-[(Z)-1-(2,6-dimethylphenyl)pent-2-en-3-yl]-1H-imidazole
CID 21241865
5-[(2,3-dimethylphenyl)methyl]-(213C,1,3-15N2)1H-imidazole;hydrochloride
CID 71315842
(Z)-2-fluoro-3-(1H-imidazol-5-yl)prop-2-en-1-ol
CID 14965028
5-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1H-imidazole
CID 171109649
3-(1H-imidazol-5-yl)-N-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-amine
CID 170813860
ethyl (E)-2-cyano-3-(1H-imidazol-5-yl)prop-2-enoate
CID 117072534
(Z)-2-fluoro-3-(1H-imidazol-5-yl)prop-2-enoic acid
CID 10655400
ethane;(E)-4-(1H-imidazol-5-yl)but-3-en-2-one
CID 91008820
5-[4-(2,6-dichlorophenyl)but-1-enyl]-1H-imidazole
CID 54549887
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-(1H-imidazol-5-yl)prop-2-en-1-one
CID 126780609
5-[(E)-2-(3-fluorophenyl)ethenyl]-1H-imidazole
CID 131237486

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2,6-dimethylphenyl)-2-methylprop-1-enyl]-1H-imidazole?
The IUPAC name of 5-[3-(2,6-dimethylphenyl)-2-methylprop-1-enyl]-1H-imidazole (CID 54135198) is 5-[3-(2,6-dimethylphenyl)-2-methylprop-1-enyl]-1H-imidazole.
What is the SMILES notation for 5-[3-(2,6-dimethylphenyl)-2-methylprop-1-enyl]-1H-imidazole?
The canonical SMILES for 5-[3-(2,6-dimethylphenyl)-2-methylprop-1-enyl]-1H-imidazole is CC(=Cc1cnc[nH]1)Cc1c(C)cccc1C.
What is the InChIKey of 5-[3-(2,6-dimethylphenyl)-2-methylprop-1-enyl]-1H-imidazole?
The InChIKey is NXEQPMCUAHZCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-11(7-14-9-16-10-17-14)8-15-12(2)5-4-6-13(15)3/h4-7,9-10H,8H2,1-3H3,(H,16,17).
What are the key properties of 5-[3-(2,6-dimethylphenyl)-2-methylprop-1-enyl]-1H-imidazole?
5-[3-(2,6-dimethylphenyl)-2-methylprop-1-enyl]-1H-imidazole has a molecular weight of 226.32 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2,6-dimethylphenyl)-2-methylprop-1-enyl]-1H-imidazole is sourced from PubChem (CID 54135198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).