2-(4-bromophenyl)-6-(6-nitro-1H-benzimidazol-2-yl)-N-phenylimidazo[1,2-a]pyridin-3-amine

C26H17BrN6O2 — CID 50906873

IUPAC2-(4-bromophenyl)-6-(6-nitro-1H-benzimidazol-2-yl)-N-phenylimidazo[1,2-a]pyridin-3-amine
SMILESO=[N+]([O-])c1ccc2nc(-c3ccc4nc(-c5ccc(Br)cc5)c(Nc5ccccc5)n4c3)[nH]c2c1
InChIInChI=1S/C26H17BrN6O2/c27-18-9-6-16(7-10-18)24-26(28-19-4-2-1-3-5-19)32-15-17(8-13-23(32)31-24)25-29-21-12-11-20(33(34)35)14-22(21)30-25/h1-15,28H,(H,29,30)
InChIKeyJDTJGNDYISLTRP-UHFFFAOYSA-N
MW525.37 g/mol
LogP6.96
Rot. Bonds5

About 2-(4-bromophenyl)-6-(6-nitro-1H-benzimidazol-2-yl)-N-phenylimidazo[1,2-a]pyridin-3-amine

2-(4-bromophenyl)-6-(6-nitro-1H-benzimidazol-2-yl)-N-phenylimidazo[1,2-a]pyridin-3-amine (PubChem CID 50906873) has the molecular formula C26H17BrN6O2 and a molecular weight of 525.37 g/mol. Its IUPAC name is 2-(4-bromophenyl)-6-(6-nitro-1H-benzimidazol-2-yl)-N-phenylimidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name2-(4-bromophenyl)-6-(6-nitro-1H-benzimidazol-2-yl)-N-phenylimidazo[1,2-a]pyridin-3-amine
PubChem CID50906873
Molecular FormulaC26H17BrN6O2
Molecular Weight525.37 g/mol
Exact Mass524.06
IUPAC Name2-(4-bromophenyl)-6-(6-nitro-1H-benzimidazol-2-yl)-N-phenylimidazo[1,2-a]pyridin-3-amine
SMILESO=[N+]([O-])c1ccc2nc(-c3ccc4nc(-c5ccc(Br)cc5)c(Nc5ccccc5)n4c3)[nH]c2c1
InChIInChI=1S/C26H17BrN6O2/c27-18-9-6-16(7-10-18)24-26(28-19-4-2-1-3-5-19)32-15-17(8-13-23(32)31-24)25-29-21-12-11-20(33(34)35)14-22(21)30-25/h1-15,28H,(H,29,30)
InChIKeyJDTJGNDYISLTRP-UHFFFAOYSA-N
XLogP6.96
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.37
LogP ≤ 56.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-Nitro-2-(4-pyridinyl)-1H-benzimidazole
CID 617535
6-Nitro-2-(pyridin-3-yl)-1H-benzimidazole
CID 617536
N6-[(4-Nitro)-phenyl]-9-benzyl-2-phenyladenine
CID 25104891
6-(4-bromophenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538777
3-(1H-benzimidazol-2-yl)-5-phenyl-1-(4-pyridyl)pyrrol-2-amine
CID 71455977
6-N-[2-[[4-(2-bromophenyl)-5-(1H-imidazol-2-yl)pyrimidin-2-yl]amino]ethyl]-3-nitropyridine-2,6-diamine
CID 59648933
1-butyl-4-(5-nitro-1H-benzimidazol-2-yl)pyridinium
CID 5168576
5-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]-2-nitroaniline
CID 44531110
7-bromo-2-(2-nitrophenyl)-3H-imidazo[4,5-c]quinoline
CID 57399485
6-bromo-N-(3-nitrophenyl)-9H-pyrido[2,3-b]indol-4-amine
CID 76329341
N-[2-(4-bromophenyl)-3H-benzimidazol-5-yl]quinazolin-4-amine
CID 118709814
N-[2-(4-bromophenyl)-3H-benzimidazol-5-yl]quinolin-4-amine
CID 118710889

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-6-(6-nitro-1H-benzimidazol-2-yl)-N-phenylimidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 2-(4-bromophenyl)-6-(6-nitro-1H-benzimidazol-2-yl)-N-phenylimidazo[1,2-a]pyridin-3-amine (CID 50906873) is 2-(4-bromophenyl)-6-(6-nitro-1H-benzimidazol-2-yl)-N-phenylimidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 2-(4-bromophenyl)-6-(6-nitro-1H-benzimidazol-2-yl)-N-phenylimidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 2-(4-bromophenyl)-6-(6-nitro-1H-benzimidazol-2-yl)-N-phenylimidazo[1,2-a]pyridin-3-amine is O=[N+]([O-])c1ccc2nc(-c3ccc4nc(-c5ccc(Br)cc5)c(Nc5ccccc5)n4c3)[nH]c2c1.
What is the InChIKey of 2-(4-bromophenyl)-6-(6-nitro-1H-benzimidazol-2-yl)-N-phenylimidazo[1,2-a]pyridin-3-amine?
The InChIKey is JDTJGNDYISLTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17BrN6O2/c27-18-9-6-16(7-10-18)24-26(28-19-4-2-1-3-5-19)32-15-17(8-13-23(32)31-24)25-29-21-12-11-20(33(34)35)14-22(21)30-25/h1-15,28H,(H,29,30).
What are the key properties of 2-(4-bromophenyl)-6-(6-nitro-1H-benzimidazol-2-yl)-N-phenylimidazo[1,2-a]pyridin-3-amine?
2-(4-bromophenyl)-6-(6-nitro-1H-benzimidazol-2-yl)-N-phenylimidazo[1,2-a]pyridin-3-amine has a molecular weight of 525.37 g/mol, XLogP of 6.96, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-6-(6-nitro-1H-benzimidazol-2-yl)-N-phenylimidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 50906873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).