11-bromo-10-phenylindolo[1,2-a]benzimidazole;1-fluoro-2-nitrobenzene;1H-indole;10H-indolo[1,2-a]benzimidazole;methane;1-(2-nitrophenyl)indole;10-phenylindolo[1,2-a]benzimidazole

C83H62BrFN10O4 — CID 165078949

IUPAC11-bromo-10-phenylindolo[1,2-a]benzimidazole;1-fluoro-2-nitrobenzene;1H-indole;10H-indolo[1,2-a]benzimidazole;methane;1-(2-nitrophenyl)indole;10-phenylindolo[1,2-a]benzimidazole
SMILESBrc1c2ccccc2n2c3ccccc3n(-c3ccccc3)c12.C.O=[N+]([O-])c1ccccc1-n1ccc2ccccc21.O=[N+]([O-])c1ccccc1F.c1ccc(-n2c3ccccc3n3c4ccccc4cc23)cc1.c1ccc2[nH]ccc2c1.c1ccc2c(c1)cc1[nH]c3ccccc3n12
InChIInChI=1S/C20H13BrN2.C20H14N2.C14H10N2O2.C14H10N2.C8H7N.C6H4FNO2.CH4/c21-19-15-10-4-5-11-16(15)23-18-13-7-6-12-17(18)22(20(19)23)14-8-2-1-3-9-14;1-2-9-16(10-3-1)21-18-12-6-7-13-19(18)22-17-11-5-4-8-15(17)14-20(21)22;17-16(18)14-8-4-3-7-13(14)15-10-9-11-5-1-2-6-12(11)15;1-3-7-12-10(5-1)9-14-15-11-6-2-4-8-13(11)16(12)14;1-2-4-8-7(3-1)5-6-9-8;7-5-3-1-2-4-6(5)8(9)10;/h1-13H;1-14H;1-10H;1-9,15H;1-6,9H;1-4H;1H4
InChIKeyUUJIAFIMMGMMJS-UHFFFAOYSA-N
MW1362.38 g/mol
LogP22.49
Rot. Bonds5

About 11-bromo-10-phenylindolo[1,2-a]benzimidazole;1-fluoro-2-nitrobenzene;1H-indole;10H-indolo[1,2-a]benzimidazole;methane;1-(2-nitrophenyl)indole;10-phenylindolo[1,2-a]benzimidazole

11-bromo-10-phenylindolo[1,2-a]benzimidazole;1-fluoro-2-nitrobenzene;1H-indole;10H-indolo[1,2-a]benzimidazole;methane;1-(2-nitrophenyl)indole;10-phenylindolo[1,2-a]benzimidazole (PubChem CID 165078949) has the molecular formula C83H62BrFN10O4 and a molecular weight of 1362.38 g/mol. Its IUPAC name is 11-bromo-10-phenylindolo[1,2-a]benzimidazole;1-fluoro-2-nitrobenzene;1H-indole;10H-indolo[1,2-a]benzimidazole;methane;1-(2-nitrophenyl)indole;10-phenylindolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name11-bromo-10-phenylindolo[1,2-a]benzimidazole;1-fluoro-2-nitrobenzene;1H-indole;10H-indolo[1,2-a]benzimidazole;methane;1-(2-nitrophenyl)indole;10-phenylindolo[1,2-a]benzimidazole
PubChem CID165078949
Molecular FormulaC83H62BrFN10O4
Molecular Weight1362.38 g/mol
Exact Mass1360.41
IUPAC Name11-bromo-10-phenylindolo[1,2-a]benzimidazole;1-fluoro-2-nitrobenzene;1H-indole;10H-indolo[1,2-a]benzimidazole;methane;1-(2-nitrophenyl)indole;10-phenylindolo[1,2-a]benzimidazole
SMILESBrc1c2ccccc2n2c3ccccc3n(-c3ccccc3)c12.C.O=[N+]([O-])c1ccccc1-n1ccc2ccccc21.O=[N+]([O-])c1ccccc1F.c1ccc(-n2c3ccccc3n3c4ccccc4cc23)cc1.c1ccc2[nH]ccc2c1.c1ccc2c(c1)cc1[nH]c3ccccc3n12
InChIInChI=1S/C20H13BrN2.C20H14N2.C14H10N2O2.C14H10N2.C8H7N.C6H4FNO2.CH4/c21-19-15-10-4-5-11-16(15)23-18-13-7-6-12-17(18)22(20(19)23)14-8-2-1-3-9-14;1-2-9-16(10-3-1)21-18-12-6-7-13-19(18)22-17-11-5-4-8-15(17)14-20(21)22;17-16(18)14-8-4-3-7-13(14)15-10-9-11-5-1-2-6-12(11)15;1-3-7-12-10(5-1)9-14-15-11-6-2-4-8-13(11)16(12)14;1-2-4-8-7(3-1)5-6-9-8;7-5-3-1-2-4-6(5)8(9)10;/h1-13H;1-14H;1-10H;1-9,15H;1-6,9H;1-4H;1H4
InChIKeyUUJIAFIMMGMMJS-UHFFFAOYSA-N
XLogP22.49
TPSA145.88 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms99
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001362.38
LogP ≤ 522.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 11-bromo-10-phenylindolo[1,2-a]benzimidazole;1-fluoro-2-nitrobenzene;1H-indole;10H-indolo[1,2-a]benzimidazole;methane;1-(2-nitrophenyl)indole;10-phenylindolo[1,2-a]benzimidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-bromo-10-phenylindolo[1,2-a]benzimidazole;1-fluoro-2-nitrobenzene;1H-indole;10H-indolo[1,2-a]benzimidazole;methane;1-(2-nitrophenyl)indole;10-phenylindolo[1,2-a]benzimidazole?
The IUPAC name of 11-bromo-10-phenylindolo[1,2-a]benzimidazole;1-fluoro-2-nitrobenzene;1H-indole;10H-indolo[1,2-a]benzimidazole;methane;1-(2-nitrophenyl)indole;10-phenylindolo[1,2-a]benzimidazole (CID 165078949) is 11-bromo-10-phenylindolo[1,2-a]benzimidazole;1-fluoro-2-nitrobenzene;1H-indole;10H-indolo[1,2-a]benzimidazole;methane;1-(2-nitrophenyl)indole;10-phenylindolo[1,2-a]benzimidazole.
What is the SMILES notation for 11-bromo-10-phenylindolo[1,2-a]benzimidazole;1-fluoro-2-nitrobenzene;1H-indole;10H-indolo[1,2-a]benzimidazole;methane;1-(2-nitrophenyl)indole;10-phenylindolo[1,2-a]benzimidazole?
The canonical SMILES for 11-bromo-10-phenylindolo[1,2-a]benzimidazole;1-fluoro-2-nitrobenzene;1H-indole;10H-indolo[1,2-a]benzimidazole;methane;1-(2-nitrophenyl)indole;10-phenylindolo[1,2-a]benzimidazole is Brc1c2ccccc2n2c3ccccc3n(-c3ccccc3)c12.C.O=[N+]([O-])c1ccccc1-n1ccc2ccccc21.O=[N+]([O-])c1ccccc1F.c1ccc(-n2c3ccccc3n3c4ccccc4cc23)cc1.c1ccc2[nH]ccc2c1.c1ccc2c(c1)cc1[nH]c3ccccc3n12.
What is the InChIKey of 11-bromo-10-phenylindolo[1,2-a]benzimidazole;1-fluoro-2-nitrobenzene;1H-indole;10H-indolo[1,2-a]benzimidazole;methane;1-(2-nitrophenyl)indole;10-phenylindolo[1,2-a]benzimidazole?
The InChIKey is UUJIAFIMMGMMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13BrN2.C20H14N2.C14H10N2O2.C14H10N2.C8H7N.C6H4FNO2.CH4/c21-19-15-10-4-5-11-16(15)23-18-13-7-6-12-17(18)22(20(19)23)14-8-2-1-3-9-14;1-2-9-16(10-3-1)21-18-12-6-7-13-19(18)22-17-11-5-4-8-15(17)14-20(21)22;17-16(18)14-8-4-3-7-13(14)15-10-9-11-5-1-2-6-12(11)15;1-3-7-12-10(5-1)9-14-15-11-6-2-4-8-13(11)16(12)14;1-2-4-8-7(3-1)5-6-9-8;7-5-3-1-2-4-6(5)8(9)10;/h1-13H;1-14H;1-10H;1-9,15H;1-6,9H;1-4H;1H4.
What are the key properties of 11-bromo-10-phenylindolo[1,2-a]benzimidazole;1-fluoro-2-nitrobenzene;1H-indole;10H-indolo[1,2-a]benzimidazole;methane;1-(2-nitrophenyl)indole;10-phenylindolo[1,2-a]benzimidazole?
11-bromo-10-phenylindolo[1,2-a]benzimidazole;1-fluoro-2-nitrobenzene;1H-indole;10H-indolo[1,2-a]benzimidazole;methane;1-(2-nitrophenyl)indole;10-phenylindolo[1,2-a]benzimidazole has a molecular weight of 1362.38 g/mol, XLogP of 22.49, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 11-bromo-10-phenylindolo[1,2-a]benzimidazole;1-fluoro-2-nitrobenzene;1H-indole;10H-indolo[1,2-a]benzimidazole;methane;1-(2-nitrophenyl)indole;10-phenylindolo[1,2-a]benzimidazole is sourced from PubChem (CID 165078949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).