(3S)-3',3'-dimethylspiro[1H-indole-3,12'-4,5-dihydro-2H-benzimidazolo[2,1-b]quinazoline]-1',2-dione

C23H20N4O2 — CID 139202033

IUPAC(3S)-3',3'-dimethylspiro[1H-indole-3,12'-4,5-dihydro-2H-benzimidazolo[2,1-b]quinazoline]-1',2-dione
SMILESCC1(C)CC(=O)C2=C(C1)Nc1nc3ccccc3n1[C@]21C(=O)Nc2ccccc21
InChIInChI=1S/C23H20N4O2/c1-22(2)11-16-19(18(28)12-22)23(13-7-3-4-8-14(13)24-20(23)29)27-17-10-6-5-9-15(17)25-21(27)26-16/h3-10H,11-12H2,1-2H3,(H,24,29)(H,25,26)/t23-/m0/s1
InChIKeyCETQBBOOISDHIJ-QHCPKHFHSA-N
MW384.44 g/mol
LogP3.80
Rot. Bonds

About (3S)-3',3'-dimethylspiro[1H-indole-3,12'-4,5-dihydro-2H-benzimidazolo[2,1-b]quinazoline]-1',2-dione

(3S)-3',3'-dimethylspiro[1H-indole-3,12'-4,5-dihydro-2H-benzimidazolo[2,1-b]quinazoline]-1',2-dione (PubChem CID 139202033) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is (3S)-3',3'-dimethylspiro[1H-indole-3,12'-4,5-dihydro-2H-benzimidazolo[2,1-b]quinazoline]-1',2-dione.

Molecular Properties

Compound Name(3S)-3',3'-dimethylspiro[1H-indole-3,12'-4,5-dihydro-2H-benzimidazolo[2,1-b]quinazoline]-1',2-dione
PubChem CID139202033
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name(3S)-3',3'-dimethylspiro[1H-indole-3,12'-4,5-dihydro-2H-benzimidazolo[2,1-b]quinazoline]-1',2-dione
SMILESCC1(C)CC(=O)C2=C(C1)Nc1nc3ccccc3n1[C@]21C(=O)Nc2ccccc21
InChIInChI=1S/C23H20N4O2/c1-22(2)11-16-19(18(28)12-22)23(13-7-3-4-8-14(13)24-20(23)29)27-17-10-6-5-9-15(17)25-21(27)26-16/h3-10H,11-12H2,1-2H3,(H,24,29)(H,25,26)/t23-/m0/s1
InChIKeyCETQBBOOISDHIJ-QHCPKHFHSA-N
XLogP3.80
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3S)-3',3'-dimethylspiro[1H-indole-3,12'-4,5-dihydro-2H-benzimidazolo[2,1-b]quinazoline]-1',2-dione with MolForge

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Related Compounds

PKCbeta Inhibitor
CID 6419755
2-Pyrrolidinecarboxamide,N-[1,1'-biphenyl]-2-yl-1-[3-(1-methyl-1H-benzimidazol-2-yl)-1-oxopropyl]-,(2S)-
CID 44454877
5H-spiro[benzimidazo[1,2-c]quinazoline-6,3'-indol]-2'(1'H)-one
CID 2969089
N,N-dimethyl-2-[1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxo-3H-indol-3-yl]acetamide
CID 23517018
2-[1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxo-3H-indol-3-yl]-N-(2-phenylethyl)acetamide
CID 23517019
N-benzyl-2-[1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxo-3H-indol-3-yl]acetamide
CID 23517197
1'-methyl-2'-spiro[12H-benzimidazolo[1,2-c]quinazoline-6,3'-indole]one
CID 665315
2-(2,2-dimethylpropanoylamino)-N-(1-methylbenzimidazol-2-yl)benzamide
CID 1076051
N-(4-acetylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole-4-carboxamide
CID 3160705
US11339170, Example 18
CID 165112187
9,10-dimethyl-5H-spiro[benzimidazo[1,2-c]quinazoline-6,3'-indol]-2'(1'H)-one
CID 2987541
2-[(1-Benzylbenzimidazol-2-yl)amino]spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]-5-one
CID 44623885

Frequently Asked Questions

What is the IUPAC name of (3S)-3',3'-dimethylspiro[1H-indole-3,12'-4,5-dihydro-2H-benzimidazolo[2,1-b]quinazoline]-1',2-dione?
The IUPAC name of (3S)-3',3'-dimethylspiro[1H-indole-3,12'-4,5-dihydro-2H-benzimidazolo[2,1-b]quinazoline]-1',2-dione (CID 139202033) is (3S)-3',3'-dimethylspiro[1H-indole-3,12'-4,5-dihydro-2H-benzimidazolo[2,1-b]quinazoline]-1',2-dione.
What is the SMILES notation for (3S)-3',3'-dimethylspiro[1H-indole-3,12'-4,5-dihydro-2H-benzimidazolo[2,1-b]quinazoline]-1',2-dione?
The canonical SMILES for (3S)-3',3'-dimethylspiro[1H-indole-3,12'-4,5-dihydro-2H-benzimidazolo[2,1-b]quinazoline]-1',2-dione is CC1(C)CC(=O)C2=C(C1)Nc1nc3ccccc3n1[C@]21C(=O)Nc2ccccc21.
What is the InChIKey of (3S)-3',3'-dimethylspiro[1H-indole-3,12'-4,5-dihydro-2H-benzimidazolo[2,1-b]quinazoline]-1',2-dione?
The InChIKey is CETQBBOOISDHIJ-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-22(2)11-16-19(18(28)12-22)23(13-7-3-4-8-14(13)24-20(23)29)27-17-10-6-5-9-15(17)25-21(27)26-16/h3-10H,11-12H2,1-2H3,(H,24,29)(H,25,26)/t23-/m0/s1.
What are the key properties of (3S)-3',3'-dimethylspiro[1H-indole-3,12'-4,5-dihydro-2H-benzimidazolo[2,1-b]quinazoline]-1',2-dione?
(3S)-3',3'-dimethylspiro[1H-indole-3,12'-4,5-dihydro-2H-benzimidazolo[2,1-b]quinazoline]-1',2-dione has a molecular weight of 384.44 g/mol, XLogP of 3.80, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3',3'-dimethylspiro[1H-indole-3,12'-4,5-dihydro-2H-benzimidazolo[2,1-b]quinazoline]-1',2-dione is sourced from PubChem (CID 139202033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).