2-[2-(dimethylamino)-3-methyl-2H-imidazol-1-yl]ethanol;quinoline

C17H24N4O — CID 158024035

IUPAC2-[2-(dimethylamino)-3-methyl-2H-imidazol-1-yl]ethanol;quinoline
SMILESCN(C)C1N(C)C=CN1CCO.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C8H17N3O/c1-2-6-9-8(4-1)5-3-7-10-9;1-9(2)8-10(3)4-5-11(8)6-7-12/h1-7H;4-5,8,12H,6-7H2,1-3H3
InChIKeyFGKAMXIFRBJKCQ-UHFFFAOYSA-N
MW300.41 g/mol
LogP1.78
Rot. Bonds3

About 2-[2-(dimethylamino)-3-methyl-2H-imidazol-1-yl]ethanol;quinoline

2-[2-(dimethylamino)-3-methyl-2H-imidazol-1-yl]ethanol;quinoline (PubChem CID 158024035) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-3-methyl-2H-imidazol-1-yl]ethanol;quinoline.

Molecular Properties

Compound Name2-[2-(dimethylamino)-3-methyl-2H-imidazol-1-yl]ethanol;quinoline
PubChem CID158024035
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name2-[2-(dimethylamino)-3-methyl-2H-imidazol-1-yl]ethanol;quinoline
SMILESCN(C)C1N(C)C=CN1CCO.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C8H17N3O/c1-2-6-9-8(4-1)5-3-7-10-9;1-9(2)8-10(3)4-5-11(8)6-7-12/h1-7H;4-5,8,12H,6-7H2,1-3H3
InChIKeyFGKAMXIFRBJKCQ-UHFFFAOYSA-N
XLogP1.78
TPSA42.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,2-diethyl-3-methyl-2H-imidazole;quinoline
CID 159363401
propan-1-ol;quinoline
CID 160910097
N,N-dimethylmethanamine;quinoline
CID 174404526
CID 175273158
CID 175273158
ethane;methanol;quinoline
CID 90686502
quinoline
CID 76974643
quinoline;tetramethylsilane
CID 91292784
osmium(2+);quinoline
CID 158407120
CID 159709187
CID 159709187
quinoline;silver
CID 88761492
hydron;quinoline
CID 131854096
platinum(2+);quinoline
CID 50910245

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)-3-methyl-2H-imidazol-1-yl]ethanol;quinoline?
The IUPAC name of 2-[2-(dimethylamino)-3-methyl-2H-imidazol-1-yl]ethanol;quinoline (CID 158024035) is 2-[2-(dimethylamino)-3-methyl-2H-imidazol-1-yl]ethanol;quinoline.
What is the SMILES notation for 2-[2-(dimethylamino)-3-methyl-2H-imidazol-1-yl]ethanol;quinoline?
The canonical SMILES for 2-[2-(dimethylamino)-3-methyl-2H-imidazol-1-yl]ethanol;quinoline is CN(C)C1N(C)C=CN1CCO.c1ccc2ncccc2c1.
What is the InChIKey of 2-[2-(dimethylamino)-3-methyl-2H-imidazol-1-yl]ethanol;quinoline?
The InChIKey is FGKAMXIFRBJKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.C8H17N3O/c1-2-6-9-8(4-1)5-3-7-10-9;1-9(2)8-10(3)4-5-11(8)6-7-12/h1-7H;4-5,8,12H,6-7H2,1-3H3.
What are the key properties of 2-[2-(dimethylamino)-3-methyl-2H-imidazol-1-yl]ethanol;quinoline?
2-[2-(dimethylamino)-3-methyl-2H-imidazol-1-yl]ethanol;quinoline has a molecular weight of 300.41 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)-3-methyl-2H-imidazol-1-yl]ethanol;quinoline is sourced from PubChem (CID 158024035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).