11-(3-bromophenyl)-8,8-dimethyl-6,7,9,11-tetrahydro-3H-imidazo[4,5-a]acridin-10-one

C22H20BrN3O — CID 177498923

IUPAC11-(3-bromophenyl)-8,8-dimethyl-6,7,9,11-tetrahydro-3H-imidazo[4,5-a]acridin-10-one
SMILESCC1(C)CC(=O)C2=C(C1)Nc1ccc3[nH]cnc3c1C2c1cccc(Br)c1
InChIInChI=1S/C22H20BrN3O/c1-22(2)9-16-19(17(27)10-22)18(12-4-3-5-13(23)8-12)20-14(26-16)6-7-15-21(20)25-11-24-15/h3-8,11,18,26H,9-10H2,1-2H3,(H,24,25)
InChIKeyHNZHDQNTUJIXEH-UHFFFAOYSA-N
MW422.33 g/mol
LogP5.53
Rot. Bonds1

About 11-(3-bromophenyl)-8,8-dimethyl-6,7,9,11-tetrahydro-3H-imidazo[4,5-a]acridin-10-one

11-(3-bromophenyl)-8,8-dimethyl-6,7,9,11-tetrahydro-3H-imidazo[4,5-a]acridin-10-one (PubChem CID 177498923) has the molecular formula C22H20BrN3O and a molecular weight of 422.33 g/mol. Its IUPAC name is 11-(3-bromophenyl)-8,8-dimethyl-6,7,9,11-tetrahydro-3H-imidazo[4,5-a]acridin-10-one.

Molecular Properties

Compound Name11-(3-bromophenyl)-8,8-dimethyl-6,7,9,11-tetrahydro-3H-imidazo[4,5-a]acridin-10-one
PubChem CID177498923
Molecular FormulaC22H20BrN3O
Molecular Weight422.33 g/mol
Exact Mass421.08
IUPAC Name11-(3-bromophenyl)-8,8-dimethyl-6,7,9,11-tetrahydro-3H-imidazo[4,5-a]acridin-10-one
SMILESCC1(C)CC(=O)C2=C(C1)Nc1ccc3[nH]cnc3c1C2c1cccc(Br)c1
InChIInChI=1S/C22H20BrN3O/c1-22(2)9-16-19(17(27)10-22)18(12-4-3-5-13(23)8-12)20-14(26-16)6-7-15-21(20)25-11-24-15/h3-8,11,18,26H,9-10H2,1-2H3,(H,24,25)
InChIKeyHNZHDQNTUJIXEH-UHFFFAOYSA-N
XLogP5.53
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.33
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 11-(3-bromophenyl)-8,8-dimethyl-6,7,9,11-tetrahydro-3H-imidazo[4,5-a]acridin-10-one with MolForge

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Related Compounds

11-(1,3-benzodioxol-5-yl)-8,8-dimethyl-6,7,9,11-tetrahydro-3H-imidazo[4,5-a]acridin-10-one
CID 177433699
(4S)-4-(3-bromophenyl)-7,7-dimethyl-1,2,4,6,8,9-hexahydropyrazolo[3,4-b]quinoline-3,5-dione
CID 42548447
11-(5-isocyanothiophen-2-yl)-8,8-dimethyl-6,7,9,11-tetrahydro-3H-imidazo[4,5-a]acridin-10-one
CID 140930907
12-(4-bromophenyl)-9,9-dimethyl-7,8,10,12-tetrahydrobenzo[j][1,7]phenanthrolin-11-one
CID 139235282
(4R)-4-(3-bromophenyl)-7,7-dimethyl-3-phenyl-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one
CID 136750804
9,9-dimethyl-12-thiophen-3-yl-7,8,10,12-tetrahydropyrazino[2,3-a]acridin-11-one
CID 140930947
9-(3-bromophenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
CID 1101266
16-(3-bromophenyl)-4,5,10-triazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2(6),3,7,11(15)-pentaen-14-one
CID 139214968
9,9-dimethyl-12-[3-(trifluoromethyl)phenyl]-7,8,10,12-tetrahydrobenzo[b][4,7]phenanthrolin-11-one
CID 140930883
cycloheptyl 4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
CID 3887647
9,9-dimethyl-12-(3-nitrophenyl)-7,8,10,12-tetrahydrobenzo[b][4,7]phenanthrolin-11-one
CID 4583101
11-(3,5-dichlorophenyl)-8,8-dimethyl-6,7,9,11-tetrahydro-3H-pyrazolo[4,5-a]acridin-10-one
CID 164576302

Frequently Asked Questions

What is the IUPAC name of 11-(3-bromophenyl)-8,8-dimethyl-6,7,9,11-tetrahydro-3H-imidazo[4,5-a]acridin-10-one?
The IUPAC name of 11-(3-bromophenyl)-8,8-dimethyl-6,7,9,11-tetrahydro-3H-imidazo[4,5-a]acridin-10-one (CID 177498923) is 11-(3-bromophenyl)-8,8-dimethyl-6,7,9,11-tetrahydro-3H-imidazo[4,5-a]acridin-10-one.
What is the SMILES notation for 11-(3-bromophenyl)-8,8-dimethyl-6,7,9,11-tetrahydro-3H-imidazo[4,5-a]acridin-10-one?
The canonical SMILES for 11-(3-bromophenyl)-8,8-dimethyl-6,7,9,11-tetrahydro-3H-imidazo[4,5-a]acridin-10-one is CC1(C)CC(=O)C2=C(C1)Nc1ccc3[nH]cnc3c1C2c1cccc(Br)c1.
What is the InChIKey of 11-(3-bromophenyl)-8,8-dimethyl-6,7,9,11-tetrahydro-3H-imidazo[4,5-a]acridin-10-one?
The InChIKey is HNZHDQNTUJIXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrN3O/c1-22(2)9-16-19(17(27)10-22)18(12-4-3-5-13(23)8-12)20-14(26-16)6-7-15-21(20)25-11-24-15/h3-8,11,18,26H,9-10H2,1-2H3,(H,24,25).
What are the key properties of 11-(3-bromophenyl)-8,8-dimethyl-6,7,9,11-tetrahydro-3H-imidazo[4,5-a]acridin-10-one?
11-(3-bromophenyl)-8,8-dimethyl-6,7,9,11-tetrahydro-3H-imidazo[4,5-a]acridin-10-one has a molecular weight of 422.33 g/mol, XLogP of 5.53, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(3-bromophenyl)-8,8-dimethyl-6,7,9,11-tetrahydro-3H-imidazo[4,5-a]acridin-10-one is sourced from PubChem (CID 177498923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).