3-benzyl-2-[1-(5,5-dimethyl-4H-imidazol-3-yl)-2-methylpropyl]quinazolin-4-one

C24H28N4O — CID 21097004

IUPAC3-benzyl-2-[1-(5,5-dimethyl-4H-imidazol-3-yl)-2-methylpropyl]quinazolin-4-one
SMILESCC(C)C(c1nc2ccccc2c(=O)n1Cc1ccccc1)N1C=NC(C)(C)C1
InChIInChI=1S/C24H28N4O/c1-17(2)21(27-15-24(3,4)25-16-27)22-26-20-13-9-8-12-19(20)23(29)28(22)14-18-10-6-5-7-11-18/h5-13,16-17,21H,14-15H2,1-4H3
InChIKeyUYFPKZXHYBQWAA-UHFFFAOYSA-N
MW388.52 g/mol
LogP4.26
Rot. Bonds5

About 3-benzyl-2-[1-(5,5-dimethyl-4H-imidazol-3-yl)-2-methylpropyl]quinazolin-4-one

3-benzyl-2-[1-(5,5-dimethyl-4H-imidazol-3-yl)-2-methylpropyl]quinazolin-4-one (PubChem CID 21097004) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is 3-benzyl-2-[1-(5,5-dimethyl-4H-imidazol-3-yl)-2-methylpropyl]quinazolin-4-one.

Molecular Properties

Compound Name3-benzyl-2-[1-(5,5-dimethyl-4H-imidazol-3-yl)-2-methylpropyl]quinazolin-4-one
PubChem CID21097004
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name3-benzyl-2-[1-(5,5-dimethyl-4H-imidazol-3-yl)-2-methylpropyl]quinazolin-4-one
SMILESCC(C)C(c1nc2ccccc2c(=O)n1Cc1ccccc1)N1C=NC(C)(C)C1
InChIInChI=1S/C24H28N4O/c1-17(2)21(27-15-24(3,4)25-16-27)22-26-20-13-9-8-12-19(20)23(29)28(22)14-18-10-6-5-7-11-18/h5-13,16-17,21H,14-15H2,1-4H3
InChIKeyUYFPKZXHYBQWAA-UHFFFAOYSA-N
XLogP4.26
TPSA50.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-benzyl-2-[2-methyl-1-(2-methylimidazol-1-yl)propyl]quinazolin-4-one
CID 21097005
3-benzyl-2-[(1R)-1-(ethylamino)ethyl]quinazolin-4-one
CID 769316
3-benzyl-7-chloro-2-[1-(5,5-dimethyl-2-quinoxalin-2-yl-4H-imidazol-3-yl)-2-methylpropyl]quinazolin-4-one
CID 21097040
3-benzyl-2-[(1S)-1-(2-methylpropylamino)ethyl]quinazolin-4-one
CID 769323
3-benzyl-7-chloro-2-[1-[2-(3-fluoro-4-methylphenyl)-5,5-dimethyl-4H-imidazol-3-yl]-2-methylpropyl]quinazolin-4-one
CID 21097016
3-benzyl-2-[(1S)-1-[2-(dimethylamino)ethylamino]ethyl]quinazolin-4-one
CID 1052006
3-benzyl-2-[(1S)-1-(benzylamino)propyl]quinazolin-4-one
CID 1051972
3-benzyl-2-[1-(4-benzyl-7-oxo-1,4-diazepan-1-yl)-2-methylpropyl]-7-chloroquinazolin-4-one
CID 10256409
2-(1-amino-2-methylpropyl)-3-benzyl-7-chloroquinazolin-4-one
CID 22238798
2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]quinazolin-4-one
CID 17036011
2-(1-chloroethyl)-3-(2,3,3-trimethylbutyl)quinazolin-4-one
CID 83145007
3-benzyl-2-pyrrolidin-1-ylquinazolin-4-one
CID 126457829

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-[1-(5,5-dimethyl-4H-imidazol-3-yl)-2-methylpropyl]quinazolin-4-one?
The IUPAC name of 3-benzyl-2-[1-(5,5-dimethyl-4H-imidazol-3-yl)-2-methylpropyl]quinazolin-4-one (CID 21097004) is 3-benzyl-2-[1-(5,5-dimethyl-4H-imidazol-3-yl)-2-methylpropyl]quinazolin-4-one.
What is the SMILES notation for 3-benzyl-2-[1-(5,5-dimethyl-4H-imidazol-3-yl)-2-methylpropyl]quinazolin-4-one?
The canonical SMILES for 3-benzyl-2-[1-(5,5-dimethyl-4H-imidazol-3-yl)-2-methylpropyl]quinazolin-4-one is CC(C)C(c1nc2ccccc2c(=O)n1Cc1ccccc1)N1C=NC(C)(C)C1.
What is the InChIKey of 3-benzyl-2-[1-(5,5-dimethyl-4H-imidazol-3-yl)-2-methylpropyl]quinazolin-4-one?
The InChIKey is UYFPKZXHYBQWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-17(2)21(27-15-24(3,4)25-16-27)22-26-20-13-9-8-12-19(20)23(29)28(22)14-18-10-6-5-7-11-18/h5-13,16-17,21H,14-15H2,1-4H3.
What are the key properties of 3-benzyl-2-[1-(5,5-dimethyl-4H-imidazol-3-yl)-2-methylpropyl]quinazolin-4-one?
3-benzyl-2-[1-(5,5-dimethyl-4H-imidazol-3-yl)-2-methylpropyl]quinazolin-4-one has a molecular weight of 388.52 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-[1-(5,5-dimethyl-4H-imidazol-3-yl)-2-methylpropyl]quinazolin-4-one is sourced from PubChem (CID 21097004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).