4,4-dimethyl-2-(4-methylquinolin-2-yl)-1H-imidazol-5-one

C15H15N3O — CID 106953433

IUPAC4,4-dimethyl-2-(4-methylquinolin-2-yl)-1H-imidazol-5-one
SMILESCc1cc(C2=NC(C)(C)C(=O)N2)nc2ccccc12
InChIInChI=1S/C15H15N3O/c1-9-8-12(13-17-14(19)15(2,3)18-13)16-11-7-5-4-6-10(9)11/h4-8H,1-3H3,(H,17,18,19)
InChIKeyJOIUWLOHPZABCZ-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.20
Rot. Bonds1

About 4,4-dimethyl-2-(4-methylquinolin-2-yl)-1H-imidazol-5-one

4,4-dimethyl-2-(4-methylquinolin-2-yl)-1H-imidazol-5-one (PubChem CID 106953433) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 4,4-dimethyl-2-(4-methylquinolin-2-yl)-1H-imidazol-5-one.

Molecular Properties

Compound Name4,4-dimethyl-2-(4-methylquinolin-2-yl)-1H-imidazol-5-one
PubChem CID106953433
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name4,4-dimethyl-2-(4-methylquinolin-2-yl)-1H-imidazol-5-one
SMILESCc1cc(C2=NC(C)(C)C(=O)N2)nc2ccccc12
InChIInChI=1S/C15H15N3O/c1-9-8-12(13-17-14(19)15(2,3)18-13)16-11-7-5-4-6-10(9)11/h4-8H,1-3H3,(H,17,18,19)
InChIKeyJOIUWLOHPZABCZ-UHFFFAOYSA-N
XLogP2.20
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylquinolin-2-yl)benzenethiol
CID 136656831
4-methyl-2-(2,3,4,5-tetramethylphenyl)quinoline
CID 59348556
2-(4-iodophenyl)-4-methylquinoline
CID 8966469
2-(2,6-diethylphenyl)-4-methylquinoline
CID 101498276
4-methyl-2-(5-methyl-3H-imidazo[4,5-c]pyridin-5-ium-2-yl)quinoline
CID 15644518
2-(3,4-dimethylphenyl)-4-methylquinoline;hydrochloride
CID 47104793
4-methyl-2-(1H-pyrazol-4-yl)quinoline
CID 170518667
sodium 2-(4-methylquinolin-2-yl)-3-oxoinden-1-olate
CID 23678487
6-methyl-2-(4-methylquinolin-2-yl)pyrimidine-4-carbaldehyde
CID 114755476
4-methylquinoline-2-carbaldehyde
CID 12735795
4-methylquinoline-2-sulfonic acid
CID 119081997
4-methyl-6-(4-methylquinolin-2-yl)-1,3,5-triazin-2-amine
CID 114755546

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-(4-methylquinolin-2-yl)-1H-imidazol-5-one?
The IUPAC name of 4,4-dimethyl-2-(4-methylquinolin-2-yl)-1H-imidazol-5-one (CID 106953433) is 4,4-dimethyl-2-(4-methylquinolin-2-yl)-1H-imidazol-5-one.
What is the SMILES notation for 4,4-dimethyl-2-(4-methylquinolin-2-yl)-1H-imidazol-5-one?
The canonical SMILES for 4,4-dimethyl-2-(4-methylquinolin-2-yl)-1H-imidazol-5-one is Cc1cc(C2=NC(C)(C)C(=O)N2)nc2ccccc12.
What is the InChIKey of 4,4-dimethyl-2-(4-methylquinolin-2-yl)-1H-imidazol-5-one?
The InChIKey is JOIUWLOHPZABCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-9-8-12(13-17-14(19)15(2,3)18-13)16-11-7-5-4-6-10(9)11/h4-8H,1-3H3,(H,17,18,19).
What are the key properties of 4,4-dimethyl-2-(4-methylquinolin-2-yl)-1H-imidazol-5-one?
4,4-dimethyl-2-(4-methylquinolin-2-yl)-1H-imidazol-5-one has a molecular weight of 253.31 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-(4-methylquinolin-2-yl)-1H-imidazol-5-one is sourced from PubChem (CID 106953433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).