1,4-dimethylimidazole;ethane;quinoline

C16H21N3 — CID 90996205

IUPAC1,4-dimethylimidazole;ethane;quinoline
SMILESCC.Cc1cn(C)cn1.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C5H8N2.C2H6/c1-2-6-9-8(4-1)5-3-7-10-9;1-5-3-7(2)4-6-5;1-2/h1-7H;3-4H,1-2H3;1-2H3
InChIKeyAVCMNCLUYNFLTJ-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.99
Rot. Bonds

About 1,4-dimethylimidazole;ethane;quinoline

1,4-dimethylimidazole;ethane;quinoline (PubChem CID 90996205) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1,4-dimethylimidazole;ethane;quinoline.

Molecular Properties

Compound Name1,4-dimethylimidazole;ethane;quinoline
PubChem CID90996205
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name1,4-dimethylimidazole;ethane;quinoline
SMILESCC.Cc1cn(C)cn1.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C5H8N2.C2H6/c1-2-6-9-8(4-1)5-3-7-10-9;1-5-3-7(2)4-6-5;1-2/h1-7H;3-4H,1-2H3;1-2H3
InChIKeyAVCMNCLUYNFLTJ-UHFFFAOYSA-N
XLogP3.99
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;methanol;quinoline
CID 90686502
quinoline
CID 76974643
bis(2,2-dimethylpropane);ethane;quinoline
CID 159309624
quinoline;tetramethylsilane
CID 91292784
osmium(2+);quinoline
CID 158407120
hydron;quinoline
CID 131854096
quinoline;silver
CID 88761492
CID 175273158
CID 175273158
platinum(2+);quinoline
CID 50910245
CID 159709187
CID 159709187
1,4-dimethylimidazole;hydrochloride
CID 146623882
N,N-dimethylmethanamine;quinoline
CID 174404526

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylimidazole;ethane;quinoline?
The IUPAC name of 1,4-dimethylimidazole;ethane;quinoline (CID 90996205) is 1,4-dimethylimidazole;ethane;quinoline.
What is the SMILES notation for 1,4-dimethylimidazole;ethane;quinoline?
The canonical SMILES for 1,4-dimethylimidazole;ethane;quinoline is CC.Cc1cn(C)cn1.c1ccc2ncccc2c1.
What is the InChIKey of 1,4-dimethylimidazole;ethane;quinoline?
The InChIKey is AVCMNCLUYNFLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.C5H8N2.C2H6/c1-2-6-9-8(4-1)5-3-7-10-9;1-5-3-7(2)4-6-5;1-2/h1-7H;3-4H,1-2H3;1-2H3.
What are the key properties of 1,4-dimethylimidazole;ethane;quinoline?
1,4-dimethylimidazole;ethane;quinoline has a molecular weight of 255.36 g/mol, XLogP of 3.99, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylimidazole;ethane;quinoline is sourced from PubChem (CID 90996205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).