bis(6H-benzimidazolo[2,1-b]quinazolin-12-one);5-methylbenzimidazolo[2,1-b]quinazolin-12-one;6-methylbenzimidazolo[2,1-b]quinazolin-12-one

C58H40N12O4 — CID 160702300

IUPACbis(6H-benzimidazolo[2,1-b]quinazolin-12-one);5-methylbenzimidazolo[2,1-b]quinazolin-12-one;6-methylbenzimidazolo[2,1-b]quinazolin-12-one
SMILESCn1c2ccccc2c(=O)n2c3ccccc3nc12.Cn1c2ccccc2n2c(=O)c3ccccc3nc12.O=c1c2ccccc2nc2[nH]c3ccccc3n12.O=c1c2ccccc2nc2[nH]c3ccccc3n12
InChIInChI=1S/2C15H11N3O.2C14H9N3O/c1-17-12-8-4-2-6-10(12)14(19)18-13-9-5-3-7-11(13)16-15(17)18;1-17-12-8-4-5-9-13(12)18-14(19)10-6-2-3-7-11(10)16-15(17)18;2*18-13-9-5-1-2-6-10(9)15-14-16-11-7-3-4-8-12(11)17(13)14/h2*2-9H,1H3;2*1-8H,(H,15,16)
InChIKeyRQTVJIQOEVAHNH-UHFFFAOYSA-N
MW969.04 g/mol
LogP9.34
Rot. Bonds

About bis(6H-benzimidazolo[2,1-b]quinazolin-12-one);5-methylbenzimidazolo[2,1-b]quinazolin-12-one;6-methylbenzimidazolo[2,1-b]quinazolin-12-one

bis(6H-benzimidazolo[2,1-b]quinazolin-12-one);5-methylbenzimidazolo[2,1-b]quinazolin-12-one;6-methylbenzimidazolo[2,1-b]quinazolin-12-one (PubChem CID 160702300) has the molecular formula C58H40N12O4 and a molecular weight of 969.04 g/mol. Its IUPAC name is bis(6H-benzimidazolo[2,1-b]quinazolin-12-one);5-methylbenzimidazolo[2,1-b]quinazolin-12-one;6-methylbenzimidazolo[2,1-b]quinazolin-12-one.

Molecular Properties

Compound Namebis(6H-benzimidazolo[2,1-b]quinazolin-12-one);5-methylbenzimidazolo[2,1-b]quinazolin-12-one;6-methylbenzimidazolo[2,1-b]quinazolin-12-one
PubChem CID160702300
Molecular FormulaC58H40N12O4
Molecular Weight969.04 g/mol
Exact Mass968.33
IUPAC Namebis(6H-benzimidazolo[2,1-b]quinazolin-12-one);5-methylbenzimidazolo[2,1-b]quinazolin-12-one;6-methylbenzimidazolo[2,1-b]quinazolin-12-one
SMILESCn1c2ccccc2c(=O)n2c3ccccc3nc12.Cn1c2ccccc2n2c(=O)c3ccccc3nc12.O=c1c2ccccc2nc2[nH]c3ccccc3n12.O=c1c2ccccc2nc2[nH]c3ccccc3n12
InChIInChI=1S/2C15H11N3O.2C14H9N3O/c1-17-12-8-4-2-6-10(12)14(19)18-13-9-5-3-7-11(13)16-15(17)18;1-17-12-8-4-5-9-13(12)18-14(19)10-6-2-3-7-11(10)16-15(17)18;2*18-13-9-5-1-2-6-10(9)15-14-16-11-7-3-4-8-12(11)17(13)14/h2*2-9H,1H3;2*1-8H,(H,15,16)
InChIKeyRQTVJIQOEVAHNH-UHFFFAOYSA-N
XLogP9.34
TPSA178.92 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500969.04
LogP ≤ 59.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

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Related Compounds

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
N-(1-methyl-1H-benzimidazol-2-yl)-2-[(phenylcarbonyl)amino]benzamide
CID 3824432
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
1-[[1-(4-Fluorobutyl)benzimidazol-2-yl]methyl]-3-methylquinazoline-2,4-dione
CID 44433613
Benzimidazo(2,1-b)quinazolin-12(6H)-one, 3-methyl-
CID 208643
N-[4-(1-methylbenzimidazol-2-yl)phenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 136165102
N,N'-bis[[6-[6-[3-(dimethylamino)propylcarbamoyl]-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]methyl]propanediamide
CID 145969953
N-[3-(dimethylamino)propyl]-2-[2-[[[2-[4-[2-[[6-[6-[3-(dimethylamino)propylcarbamoyl]-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]methylamino]-2-oxoethyl]piperazin-1-yl]acetyl]amino]methyl]-3H-benzimidazol-5-yl]-3H-benzimidazole-5-carboxamide
CID 156015028
N-[3-(dimethylamino)propyl]-2-[2-[[3-[4-[3-[[6-[6-[3-(dimethylamino)propylcarbamoyl]-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]methylamino]-3-oxopropyl]piperazin-1-yl]propanoylamino]methyl]-3H-benzimidazol-5-yl]-3H-benzimidazole-5-carboxamide
CID 156020974
N-[3-(dimethylamino)propyl]-2-[2-[[4-[4-[4-[[6-[6-[3-(dimethylamino)propylcarbamoyl]-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]methylamino]-4-oxobutyl]piperazin-1-yl]butanoylamino]methyl]-3H-benzimidazol-5-yl]-3H-benzimidazole-5-carboxamide
CID 156021008

Frequently Asked Questions

What is the IUPAC name of bis(6H-benzimidazolo[2,1-b]quinazolin-12-one);5-methylbenzimidazolo[2,1-b]quinazolin-12-one;6-methylbenzimidazolo[2,1-b]quinazolin-12-one?
The IUPAC name of bis(6H-benzimidazolo[2,1-b]quinazolin-12-one);5-methylbenzimidazolo[2,1-b]quinazolin-12-one;6-methylbenzimidazolo[2,1-b]quinazolin-12-one (CID 160702300) is bis(6H-benzimidazolo[2,1-b]quinazolin-12-one);5-methylbenzimidazolo[2,1-b]quinazolin-12-one;6-methylbenzimidazolo[2,1-b]quinazolin-12-one.
What is the SMILES notation for bis(6H-benzimidazolo[2,1-b]quinazolin-12-one);5-methylbenzimidazolo[2,1-b]quinazolin-12-one;6-methylbenzimidazolo[2,1-b]quinazolin-12-one?
The canonical SMILES for bis(6H-benzimidazolo[2,1-b]quinazolin-12-one);5-methylbenzimidazolo[2,1-b]quinazolin-12-one;6-methylbenzimidazolo[2,1-b]quinazolin-12-one is Cn1c2ccccc2c(=O)n2c3ccccc3nc12.Cn1c2ccccc2n2c(=O)c3ccccc3nc12.O=c1c2ccccc2nc2[nH]c3ccccc3n12.O=c1c2ccccc2nc2[nH]c3ccccc3n12.
What is the InChIKey of bis(6H-benzimidazolo[2,1-b]quinazolin-12-one);5-methylbenzimidazolo[2,1-b]quinazolin-12-one;6-methylbenzimidazolo[2,1-b]quinazolin-12-one?
The InChIKey is RQTVJIQOEVAHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H11N3O.2C14H9N3O/c1-17-12-8-4-2-6-10(12)14(19)18-13-9-5-3-7-11(13)16-15(17)18;1-17-12-8-4-5-9-13(12)18-14(19)10-6-2-3-7-11(10)16-15(17)18;2*18-13-9-5-1-2-6-10(9)15-14-16-11-7-3-4-8-12(11)17(13)14/h2*2-9H,1H3;2*1-8H,(H,15,16).
What are the key properties of bis(6H-benzimidazolo[2,1-b]quinazolin-12-one);5-methylbenzimidazolo[2,1-b]quinazolin-12-one;6-methylbenzimidazolo[2,1-b]quinazolin-12-one?
bis(6H-benzimidazolo[2,1-b]quinazolin-12-one);5-methylbenzimidazolo[2,1-b]quinazolin-12-one;6-methylbenzimidazolo[2,1-b]quinazolin-12-one has a molecular weight of 969.04 g/mol, XLogP of 9.34, 0 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for bis(6H-benzimidazolo[2,1-b]quinazolin-12-one);5-methylbenzimidazolo[2,1-b]quinazolin-12-one;6-methylbenzimidazolo[2,1-b]quinazolin-12-one is sourced from PubChem (CID 160702300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).