2-bromo-7,8-dihydro-6H-pyrido[1,2-a]benzimidazol-9-one;2-bromo-9-(2-methoxyphenyl)-6,7-dihydropyrido[1,2-a]benzimidazole;2-bromo-9-(2-methoxyphenyl)-7,8-dihydro-6H-pyrido[1,2-a]benzimidazol-9-ol;2-bromo-9-(2-methoxyphenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole;2-(2-bromo-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-9-yl)phenol

C82H73Br5N10O6 — CID 161295336

About 2-bromo-7,8-dihydro-6H-pyrido[1,2-a]benzimidazol-9-one;2-bromo-9-(2-methoxyphenyl)-6,7-dihydropyrido[1,2-a]benzimidazole;2-bromo-9-(2-methoxyphenyl)-7,8-dihydro-6H-pyrido[1,2-a]benzimidazol-9-ol;2-bromo-9-(2-methoxyphenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole;2-(2-bromo-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-9-yl)phenol

2-bromo-7,8-dihydro-6H-pyrido[1,2-a]benzimidazol-9-one;2-bromo-9-(2-methoxyphenyl)-6,7-dihydropyrido[1,2-a]benzimidazole;2-bromo-9-(2-methoxyphenyl)-7,8-dihydro-6H-pyrido[1,2-a]benzimidazol-9-ol;2-bromo-9-(2-methoxyphenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole;2-(2-bromo-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-9-yl)phenol (PubChem CID 161295336) has the molecular formula C82H73Br5N10O6 and a molecular weight of 1694.07 g/mol. Its IUPAC name is 2-bromo-7,8-dihydro-6H-pyrido[1,2-a]benzimidazol-9-one;2-bromo-9-(2-methoxyphenyl)-6,7-dihydropyrido[1,2-a]benzimidazole;2-bromo-9-(2-methoxyphenyl)-7,8-dihydro-6H-pyrido[1,2-a]benzimidazol-9-ol;2-bromo-9-(2-methoxyphenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole;2-(2-bromo-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-9-yl)phenol.

Molecular Properties

• Compound Name: 2-bromo-7,8-dihydro-6H-pyrido[1,2-a]benzimidazol-9-one;2-bromo-9-(2-methoxyphenyl)-6,7-dihydropyrido[1,2-a]benzimidazole;2-bromo-9-(2-methoxyphenyl)-7,8-dihydro-6H-pyrido[1,2-a]benzimidazol-9-ol;2-bromo-9-(2-methoxyphenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole;2-(2-bromo-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-9-yl)phenol
• PubChem CID: 161295336
• Molecular Formula: C82H73Br5N10O6
• Molecular Weight: 1694.07 g/mol
• Exact Mass: 1688.16
• IUPAC Name: 2-bromo-7,8-dihydro-6H-pyrido[1,2-a]benzimidazol-9-one;2-bromo-9-(2-methoxyphenyl)-6,7-dihydropyrido[1,2-a]benzimidazole;2-bromo-9-(2-methoxyphenyl)-7,8-dihydro-6H-pyrido[1,2-a]benzimidazol-9-ol;2-bromo-9-(2-methoxyphenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole;2-(2-bromo-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-9-yl)phenol
• SMILES: COc1ccccc1C1(O)CCCc2nc3ccc(Br)cn3c21.COc1ccccc1C1=CCCc2nc3ccc(Br)cn3c21.COc1ccccc1C1CCCc2nc3ccc(Br)cn3c21.O=C1CCCc2nc3ccc(Br)cn3c21.Oc1ccccc1C1CCCc2nc3ccc(Br)cn3c21
• InChI: InChI=1S/C18H17BrN2O2.C18H17BrN2O.C18H15BrN2O.C17H15BrN2O.C11H9BrN2O/c1-23-15-7-3-2-5-13(15)18(22)10-4-6-14-17(18)21-11-12(19)8-9-16(21)20-14;2*1-22-16-8-3-2-5-13(16)14-6-4-7-15-18(14)21-11-12(19)9-10-17(21)20-15;18-11-8-9-16-19-14-6-3-5-13(17(14)20(16)10-11)12-4-1-2-7-15(12)21;12-7-4-5-10-13-8-2-1-3-9(15)11(8)14(10)6-7/h2-3,5,7-9,11,22H,4,6,10H2,1H3;2-3,5,8-11,14H,4,6-7H2,1H3;2-3,5-6,8-11H,4,7H2,1H3;1-2,4,7-10,13,21H,3,5-6H2;4-6H,1-3H2
• InChIKey: VGWYMPRBCWQALA-UHFFFAOYSA-N
• XLogP: 19.62
• TPSA: 171.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 7
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1694.07
LogP ≤ 5	19.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 2-bromo-7,8-dihydro-6H-pyrido[1,2-a]benzimidazol-9-one;2-bromo-9-(2-methoxyphenyl)-6,7-dihydropyrido[1,2-a]benzimidazole;2-bromo-9-(2-methoxyphenyl)-7,8-dihydro-6H-pyrido[1,2-a]benzimidazol-9-ol;2-bromo-9-(2-methoxyphenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole;2-(2-bromo-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-9-yl)phenol?

The IUPAC name of 2-bromo-7,8-dihydro-6H-pyrido[1,2-a]benzimidazol-9-one;2-bromo-9-(2-methoxyphenyl)-6,7-dihydropyrido[1,2-a]benzimidazole;2-bromo-9-(2-methoxyphenyl)-7,8-dihydro-6H-pyrido[1,2-a]benzimidazol-9-ol;2-bromo-9-(2-methoxyphenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole;2-(2-bromo-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-9-yl)phenol (CID 161295336) is 2-bromo-7,8-dihydro-6H-pyrido[1,2-a]benzimidazol-9-one;2-bromo-9-(2-methoxyphenyl)-6,7-dihydropyrido[1,2-a]benzimidazole;2-bromo-9-(2-methoxyphenyl)-7,8-dihydro-6H-pyrido[1,2-a]benzimidazol-9-ol;2-bromo-9-(2-methoxyphenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole;2-(2-bromo-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-9-yl)phenol.

What is the SMILES notation for 2-bromo-7,8-dihydro-6H-pyrido[1,2-a]benzimidazol-9-one;2-bromo-9-(2-methoxyphenyl)-6,7-dihydropyrido[1,2-a]benzimidazole;2-bromo-9-(2-methoxyphenyl)-7,8-dihydro-6H-pyrido[1,2-a]benzimidazol-9-ol;2-bromo-9-(2-methoxyphenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole;2-(2-bromo-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-9-yl)phenol?

The canonical SMILES for 2-bromo-7,8-dihydro-6H-pyrido[1,2-a]benzimidazol-9-one;2-bromo-9-(2-methoxyphenyl)-6,7-dihydropyrido[1,2-a]benzimidazole;2-bromo-9-(2-methoxyphenyl)-7,8-dihydro-6H-pyrido[1,2-a]benzimidazol-9-ol;2-bromo-9-(2-methoxyphenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole;2-(2-bromo-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-9-yl)phenol is COc1ccccc1C1(O)CCCc2nc3ccc(Br)cn3c21.COc1ccccc1C1=CCCc2nc3ccc(Br)cn3c21.COc1ccccc1C1CCCc2nc3ccc(Br)cn3c21.O=C1CCCc2nc3ccc(Br)cn3c21.Oc1ccccc1C1CCCc2nc3ccc(Br)cn3c21.

What is the InChIKey of 2-bromo-7,8-dihydro-6H-pyrido[1,2-a]benzimidazol-9-one;2-bromo-9-(2-methoxyphenyl)-6,7-dihydropyrido[1,2-a]benzimidazole;2-bromo-9-(2-methoxyphenyl)-7,8-dihydro-6H-pyrido[1,2-a]benzimidazol-9-ol;2-bromo-9-(2-methoxyphenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole;2-(2-bromo-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-9-yl)phenol?

The InChIKey is VGWYMPRBCWQALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O2.C18H17BrN2O.C18H15BrN2O.C17H15BrN2O.C11H9BrN2O/c1-23-15-7-3-2-5-13(15)18(22)10-4-6-14-17(18)21-11-12(19)8-9-16(21)20-14;2*1-22-16-8-3-2-5-13(16)14-6-4-7-15-18(14)21-11-12(19)9-10-17(21)20-15;18-11-8-9-16-19-14-6-3-5-13(17(14)20(16)10-11)12-4-1-2-7-15(12)21;12-7-4-5-10-13-8-2-1-3-9(15)11(8)14(10)6-7/h2-3,5,7-9,11,22H,4,6,10H2,1H3;2-3,5,8-11,14H,4,6-7H2,1H3;2-3,5-6,8-11H,4,7H2,1H3;1-2,4,7-10,13,21H,3,5-6H2;4-6H,1-3H2.

What are the key properties of 2-bromo-7,8-dihydro-6H-pyrido[1,2-a]benzimidazol-9-one;2-bromo-9-(2-methoxyphenyl)-6,7-dihydropyrido[1,2-a]benzimidazole;2-bromo-9-(2-methoxyphenyl)-7,8-dihydro-6H-pyrido[1,2-a]benzimidazol-9-ol;2-bromo-9-(2-methoxyphenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole;2-(2-bromo-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-9-yl)phenol?

2-bromo-7,8-dihydro-6H-pyrido[1,2-a]benzimidazol-9-one;2-bromo-9-(2-methoxyphenyl)-6,7-dihydropyrido[1,2-a]benzimidazole;2-bromo-9-(2-methoxyphenyl)-7,8-dihydro-6H-pyrido[1,2-a]benzimidazol-9-ol;2-bromo-9-(2-methoxyphenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole;2-(2-bromo-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-9-yl)phenol has a molecular weight of 1694.07 g/mol, XLogP of 19.62, 7 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-7,8-dihydro-6H-pyrido[1,2-a]benzimidazol-9-one;2-bromo-9-(2-methoxyphenyl)-6,7-dihydropyrido[1,2-a]benzimidazole;2-bromo-9-(2-methoxyphenyl)-7,8-dihydro-6H-pyrido[1,2-a]benzimidazol-9-ol;2-bromo-9-(2-methoxyphenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole;2-(2-bromo-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-9-yl)phenol is sourced from PubChem (CID 161295336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).