spiro[1H-indole-3,6'-5H-benzimidazolo[1,2-c]quinazoline]-2-one

C21H14N4O — CID 2969089

IUPACspiro[1H-indole-3,6'-5H-benzimidazolo[1,2-c]quinazoline]-2-one
SMILESO=C1Nc2ccccc2C12Nc1ccccc1-c1nc3ccccc3n12
InChIInChI=1S/C21H14N4O/c26-20-21(14-8-2-4-10-16(14)23-20)24-15-9-3-1-7-13(15)19-22-17-11-5-6-12-18(17)25(19)21/h1-12,24H,(H,23,26)
InChIKeyCDCJDEZNJCRHKK-UHFFFAOYSA-N
MW338.37 g/mol
LogP3.78
Rot. Bonds

About spiro[1H-indole-3,6'-5H-benzimidazolo[1,2-c]quinazoline]-2-one

spiro[1H-indole-3,6'-5H-benzimidazolo[1,2-c]quinazoline]-2-one (PubChem CID 2969089) has the molecular formula C21H14N4O and a molecular weight of 338.37 g/mol. Its IUPAC name is spiro[1H-indole-3,6'-5H-benzimidazolo[1,2-c]quinazoline]-2-one.

Molecular Properties

Compound Namespiro[1H-indole-3,6'-5H-benzimidazolo[1,2-c]quinazoline]-2-one
PubChem CID2969089
Molecular FormulaC21H14N4O
Molecular Weight338.37 g/mol
Exact Mass338.12
IUPAC Namespiro[1H-indole-3,6'-5H-benzimidazolo[1,2-c]quinazoline]-2-one
SMILESO=C1Nc2ccccc2C12Nc1ccccc1-c1nc3ccccc3n12
InChIInChI=1S/C21H14N4O/c26-20-21(14-8-2-4-10-16(14)23-20)24-15-9-3-1-7-13(15)19-22-17-11-5-6-12-18(17)25(19)21/h1-12,24H,(H,23,26)
InChIKeyCDCJDEZNJCRHKK-UHFFFAOYSA-N
XLogP3.78
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-3-[(1S,5R)-3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenyl-propyl]cyclobutanecarboxamide
CID 11503459
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-6,1'-cyclohexane]
CID 618861
7H,11H-Benz[de]imidazo[4',5':5,6]benzimidazo[2,1-a]isoquinoline-7,11-dione, 10,12-dihydro-
CID 682011
(2S)-N-[5-carbamimidamido-1-(1-methyl-1H-1,3-benzodiazol-2-yl)-1-oxopentan-2-yl]-1-[(2R)-2-(methylamino)-3-phenylpropanoyl]pyrrolidine-2-carboxamide
CID 23646600
6-(1H-benzimidazol-2-ylmethyl)-12H-quinoxalino[2,3-b][1,4]benzodiazepin-13-one
CID 71450627
6-[(1-allylbenzimidazol-2-yl)methyl]-12H-quinoxalino[2,3-b][1,4]benzodiazepin-13-one
CID 71452463
spiro[5H-benzimidazolo[1,2-c]quinazoline-6,1'-cyclopentane]
CID 2999723
6-Methyl-6-phenyl-5,6-dihydrobenzimidazo[1,2-c]quinazoline
CID 3973344
N-(1-propyl-1H-1,3-benzodiazol-2-yl)quinoline-2-carboxamide
CID 17399080
N-[(1S)-3-[(1S,5R)-6-(2-methylbenzimidazol-1-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-1-phenyl-propyl]cyclobutanecarboxamide
CID 11690481
(2S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]-N-[2-(2-fluorophenyl)phenyl]pyrrolidine-2-carboxamide
CID 15949515

Frequently Asked Questions

What is the IUPAC name of spiro[1H-indole-3,6'-5H-benzimidazolo[1,2-c]quinazoline]-2-one?
The IUPAC name of spiro[1H-indole-3,6'-5H-benzimidazolo[1,2-c]quinazoline]-2-one (CID 2969089) is spiro[1H-indole-3,6'-5H-benzimidazolo[1,2-c]quinazoline]-2-one.
What is the SMILES notation for spiro[1H-indole-3,6'-5H-benzimidazolo[1,2-c]quinazoline]-2-one?
The canonical SMILES for spiro[1H-indole-3,6'-5H-benzimidazolo[1,2-c]quinazoline]-2-one is O=C1Nc2ccccc2C12Nc1ccccc1-c1nc3ccccc3n12.
What is the InChIKey of spiro[1H-indole-3,6'-5H-benzimidazolo[1,2-c]quinazoline]-2-one?
The InChIKey is CDCJDEZNJCRHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4O/c26-20-21(14-8-2-4-10-16(14)23-20)24-15-9-3-1-7-13(15)19-22-17-11-5-6-12-18(17)25(19)21/h1-12,24H,(H,23,26).
What are the key properties of spiro[1H-indole-3,6'-5H-benzimidazolo[1,2-c]quinazoline]-2-one?
spiro[1H-indole-3,6'-5H-benzimidazolo[1,2-c]quinazoline]-2-one has a molecular weight of 338.37 g/mol, XLogP of 3.78, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1H-indole-3,6'-5H-benzimidazolo[1,2-c]quinazoline]-2-one is sourced from PubChem (CID 2969089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).