(3R)-1-benzyl-3-(2-methylpropyl)-2,3-dihydro-1H-imidazo[5,1-b]quinazolin-9-one

C21H23N3O — CID 134840755

IUPAC(3R)-1-benzyl-3-(2-methylpropyl)-2,3-dihydro-1H-imidazo[5,1-b]quinazolin-9-one
SMILESCC(C)C[C@H]1NC(Cc2ccccc2)n2c1nc1ccccc1c2=O
InChIInChI=1S/C21H23N3O/c1-14(2)12-18-20-23-17-11-7-6-10-16(17)21(25)24(20)19(22-18)13-15-8-4-3-5-9-15/h3-11,14,18-19,22H,12-13H2,1-2H3/t18-,19?/m1/s1
InChIKeySZZCYCWVNCVNPF-MRTLOADZSA-N
MW333.44 g/mol
LogP3.83
Rot. Bonds4

About (3R)-1-benzyl-3-(2-methylpropyl)-2,3-dihydro-1H-imidazo[5,1-b]quinazolin-9-one

(3R)-1-benzyl-3-(2-methylpropyl)-2,3-dihydro-1H-imidazo[5,1-b]quinazolin-9-one (PubChem CID 134840755) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is (3R)-1-benzyl-3-(2-methylpropyl)-2,3-dihydro-1H-imidazo[5,1-b]quinazolin-9-one.

Molecular Properties

Compound Name(3R)-1-benzyl-3-(2-methylpropyl)-2,3-dihydro-1H-imidazo[5,1-b]quinazolin-9-one
PubChem CID134840755
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name(3R)-1-benzyl-3-(2-methylpropyl)-2,3-dihydro-1H-imidazo[5,1-b]quinazolin-9-one
SMILESCC(C)C[C@H]1NC(Cc2ccccc2)n2c1nc1ccccc1c2=O
InChIInChI=1S/C21H23N3O/c1-14(2)12-18-20-23-17-11-7-6-10-16(17)21(25)24(20)19(22-18)13-15-8-4-3-5-9-15/h3-11,14,18-19,22H,12-13H2,1-2H3/t18-,19?/m1/s1
InChIKeySZZCYCWVNCVNPF-MRTLOADZSA-N
XLogP3.83
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-1-benzyl-3-(2-methylpropyl)-2,3-dihydro-1H-imidazo[5,1-b]quinazolin-9-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,4S)-1-benzyl-4-methyl-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione
CID 23249754
1-(2-methylpropyl)-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione
CID 156641715
(3S)-1-ethyl-3-propan-2-yl-2,3-dihydro-1H-imidazo[5,1-b]quinazolin-9-one
CID 122390271
(1S,4S)-1-[(4-methylphenyl)methyl]-4-propan-2-yl-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione
CID 23249759
(1R,4S)-1-benzyl-4-methyl-2-[(1R)-1-phenylethyl]-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione
CID 23249761
(11S)-14-(1H-indol-3-ylmethyl)-11-(2-methylpropyl)-1,6,9,12-tetrazatricyclo[8.4.0.03,8]tetradeca-3(8),4,6,9-tetraene-2,13-dione
CID 156641717
5-benzyl-2-(2-methylpropyl)-3-propylimidazolidin-4-one
CID 83243023
(1S,4S)-1-hydroxy-4-[(4-hydroxyphenyl)methyl]-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione
CID 170990373
(3S,6S,9S,12S,15S)-3-benzyl-9-methyl-6,12,15-tris(2-methylpropyl)-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
CID 24778037
(1S)-2-benzyl-4,4-dimethyl-1-propan-2-yl-1H-pyrazino[2,1-b]quinazoline-3,6-dione
CID 101162946
(3R,6R,9R,12R,15S,18S,21R,24R,27S,30R)-3,18-dibenzyl-6,12,15,21,27,30-hexakis(2-methylpropyl)-9,24-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotriacontane-2,5,8,11,14,17,20,23,26,29-decone
CID 45483926
(1S,4R)-4-(1H-indol-3-ylmethyl)-8,9-diiodo-1-(2-methylpropyl)-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione
CID 166629773

Frequently Asked Questions

What is the IUPAC name of (3R)-1-benzyl-3-(2-methylpropyl)-2,3-dihydro-1H-imidazo[5,1-b]quinazolin-9-one?
The IUPAC name of (3R)-1-benzyl-3-(2-methylpropyl)-2,3-dihydro-1H-imidazo[5,1-b]quinazolin-9-one (CID 134840755) is (3R)-1-benzyl-3-(2-methylpropyl)-2,3-dihydro-1H-imidazo[5,1-b]quinazolin-9-one.
What is the SMILES notation for (3R)-1-benzyl-3-(2-methylpropyl)-2,3-dihydro-1H-imidazo[5,1-b]quinazolin-9-one?
The canonical SMILES for (3R)-1-benzyl-3-(2-methylpropyl)-2,3-dihydro-1H-imidazo[5,1-b]quinazolin-9-one is CC(C)C[C@H]1NC(Cc2ccccc2)n2c1nc1ccccc1c2=O.
What is the InChIKey of (3R)-1-benzyl-3-(2-methylpropyl)-2,3-dihydro-1H-imidazo[5,1-b]quinazolin-9-one?
The InChIKey is SZZCYCWVNCVNPF-MRTLOADZSA-N. The full InChI is InChI=1S/C21H23N3O/c1-14(2)12-18-20-23-17-11-7-6-10-16(17)21(25)24(20)19(22-18)13-15-8-4-3-5-9-15/h3-11,14,18-19,22H,12-13H2,1-2H3/t18-,19?/m1/s1.
What are the key properties of (3R)-1-benzyl-3-(2-methylpropyl)-2,3-dihydro-1H-imidazo[5,1-b]quinazolin-9-one?
(3R)-1-benzyl-3-(2-methylpropyl)-2,3-dihydro-1H-imidazo[5,1-b]quinazolin-9-one has a molecular weight of 333.44 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-benzyl-3-(2-methylpropyl)-2,3-dihydro-1H-imidazo[5,1-b]quinazolin-9-one is sourced from PubChem (CID 134840755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).