1-[(2-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-b]quinazolin-5-one

C18H17N3O — CID 22333369

IUPAC1-[(2-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-b]quinazolin-5-one
SMILESCc1ccccc1CN1CCn2c1nc1ccccc1c2=O
InChIInChI=1S/C18H17N3O/c1-13-6-2-3-7-14(13)12-20-10-11-21-17(22)15-8-4-5-9-16(15)19-18(20)21/h2-9H,10-12H2,1H3
InChIKeyJMOUHAUFTQVETQ-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.73
Rot. Bonds2

About 1-[(2-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-b]quinazolin-5-one

1-[(2-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-b]quinazolin-5-one (PubChem CID 22333369) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-[(2-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-b]quinazolin-5-one.

Molecular Properties

Compound Name1-[(2-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-b]quinazolin-5-one
PubChem CID22333369
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name1-[(2-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-b]quinazolin-5-one
SMILESCc1ccccc1CN1CCn2c1nc1ccccc1c2=O
InChIInChI=1S/C18H17N3O/c1-13-6-2-3-7-14(13)12-20-10-11-21-17(22)15-8-4-5-9-16(15)19-18(20)21/h2-9H,10-12H2,1H3
InChIKeyJMOUHAUFTQVETQ-UHFFFAOYSA-N
XLogP2.73
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylphenyl)-3-[(2-methylphenyl)methyl]quinazolin-4-one
CID 23963016
3-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,2,4,5-tetrahydro-[1,4]diazepino[7,1-b]quinazolin-11-one
CID 110244676
8,9-dihydro-7H-pyrido[2,1-b]quinazoline-6,11-dione
CID 11275922
1-[(2-methylphenyl)methyl]piperidine-2,4-dione
CID 79515595
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 55753896
3-[2-(dimethylamino)ethyl]-2-[(2-methylphenyl)methylsulfanyl]quinazolin-4-one
CID 51365347
3-[(6-methyl-2-pyridinyl)methyl]-1,2,4,5-tetrahydro-[1,4]diazepino[7,1-b]quinazolin-11-one
CID 92561628
3-benzyl-N-[(2-methylphenyl)methyl]-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxamide
CID 53052459
3-[[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-1,2,3-benzotriazin-4-one
CID 9171142
1-(2-aminophenyl)-3-[(2-methylphenyl)methyl]imidazolidin-2-one
CID 115512876
3-benzyl-2-pyrrolidin-1-ylquinazolin-4-one
CID 126457829
4-methyl-2,3-dihydro-[1,3,4]thiadiazino[2,3-b]quinazolin-6-one
CID 12577138

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-b]quinazolin-5-one?
The IUPAC name of 1-[(2-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-b]quinazolin-5-one (CID 22333369) is 1-[(2-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-b]quinazolin-5-one.
What is the SMILES notation for 1-[(2-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-b]quinazolin-5-one?
The canonical SMILES for 1-[(2-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-b]quinazolin-5-one is Cc1ccccc1CN1CCn2c1nc1ccccc1c2=O.
What is the InChIKey of 1-[(2-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-b]quinazolin-5-one?
The InChIKey is JMOUHAUFTQVETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-13-6-2-3-7-14(13)12-20-10-11-21-17(22)15-8-4-5-9-16(15)19-18(20)21/h2-9H,10-12H2,1H3.
What are the key properties of 1-[(2-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-b]quinazolin-5-one?
1-[(2-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-b]quinazolin-5-one has a molecular weight of 291.35 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-b]quinazolin-5-one is sourced from PubChem (CID 22333369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).