2-(6-bromoquinolin-3-yl)-N-(4-fluorophenyl)-6-(6-methyl-1H-benzimidazol-2-yl)imidazo[1,2-a]pyridin-3-amine

C30H20BrFN6 — CID 53232285

IUPAC2-(6-bromoquinolin-3-yl)-N-(4-fluorophenyl)-6-(6-methyl-1H-benzimidazol-2-yl)imidazo[1,2-a]pyridin-3-amine
SMILESCc1ccc2nc(-c3ccc4nc(-c5cnc6ccc(Br)cc6c5)c(Nc5ccc(F)cc5)n4c3)[nH]c2c1
InChIInChI=1S/C30H20BrFN6/c1-17-2-9-25-26(12-17)36-29(35-25)18-3-11-27-37-28(20-13-19-14-21(31)4-10-24(19)33-15-20)30(38(27)16-18)34-23-7-5-22(32)6-8-23/h2-16,34H,1H3,(H,35,36)
InChIKeyXZZSNRPZNFQNIX-UHFFFAOYSA-N
MW563.43 g/mol
LogP8.05
Rot. Bonds4

About 2-(6-bromoquinolin-3-yl)-N-(4-fluorophenyl)-6-(6-methyl-1H-benzimidazol-2-yl)imidazo[1,2-a]pyridin-3-amine

2-(6-bromoquinolin-3-yl)-N-(4-fluorophenyl)-6-(6-methyl-1H-benzimidazol-2-yl)imidazo[1,2-a]pyridin-3-amine (PubChem CID 53232285) has the molecular formula C30H20BrFN6 and a molecular weight of 563.43 g/mol. Its IUPAC name is 2-(6-bromoquinolin-3-yl)-N-(4-fluorophenyl)-6-(6-methyl-1H-benzimidazol-2-yl)imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name2-(6-bromoquinolin-3-yl)-N-(4-fluorophenyl)-6-(6-methyl-1H-benzimidazol-2-yl)imidazo[1,2-a]pyridin-3-amine
PubChem CID53232285
Molecular FormulaC30H20BrFN6
Molecular Weight563.43 g/mol
Exact Mass562.09
IUPAC Name2-(6-bromoquinolin-3-yl)-N-(4-fluorophenyl)-6-(6-methyl-1H-benzimidazol-2-yl)imidazo[1,2-a]pyridin-3-amine
SMILESCc1ccc2nc(-c3ccc4nc(-c5cnc6ccc(Br)cc6c5)c(Nc5ccc(F)cc5)n4c3)[nH]c2c1
InChIInChI=1S/C30H20BrFN6/c1-17-2-9-25-26(12-17)36-29(35-25)18-3-11-27-37-28(20-13-19-14-21(31)4-10-24(19)33-15-20)30(38(27)16-18)34-23-7-5-22(32)6-8-23/h2-16,34H,1H3,(H,35,36)
InChIKeyXZZSNRPZNFQNIX-UHFFFAOYSA-N
XLogP8.05
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.43
LogP ≤ 58.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromoquinolin-3-yl)-N-(4-fluorophenyl)-6-(6-methyl-1H-benzimidazol-2-yl)imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 2-(6-bromoquinolin-3-yl)-N-(4-fluorophenyl)-6-(6-methyl-1H-benzimidazol-2-yl)imidazo[1,2-a]pyridin-3-amine (CID 53232285) is 2-(6-bromoquinolin-3-yl)-N-(4-fluorophenyl)-6-(6-methyl-1H-benzimidazol-2-yl)imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 2-(6-bromoquinolin-3-yl)-N-(4-fluorophenyl)-6-(6-methyl-1H-benzimidazol-2-yl)imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 2-(6-bromoquinolin-3-yl)-N-(4-fluorophenyl)-6-(6-methyl-1H-benzimidazol-2-yl)imidazo[1,2-a]pyridin-3-amine is Cc1ccc2nc(-c3ccc4nc(-c5cnc6ccc(Br)cc6c5)c(Nc5ccc(F)cc5)n4c3)[nH]c2c1.
What is the InChIKey of 2-(6-bromoquinolin-3-yl)-N-(4-fluorophenyl)-6-(6-methyl-1H-benzimidazol-2-yl)imidazo[1,2-a]pyridin-3-amine?
The InChIKey is XZZSNRPZNFQNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20BrFN6/c1-17-2-9-25-26(12-17)36-29(35-25)18-3-11-27-37-28(20-13-19-14-21(31)4-10-24(19)33-15-20)30(38(27)16-18)34-23-7-5-22(32)6-8-23/h2-16,34H,1H3,(H,35,36).
What are the key properties of 2-(6-bromoquinolin-3-yl)-N-(4-fluorophenyl)-6-(6-methyl-1H-benzimidazol-2-yl)imidazo[1,2-a]pyridin-3-amine?
2-(6-bromoquinolin-3-yl)-N-(4-fluorophenyl)-6-(6-methyl-1H-benzimidazol-2-yl)imidazo[1,2-a]pyridin-3-amine has a molecular weight of 563.43 g/mol, XLogP of 8.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromoquinolin-3-yl)-N-(4-fluorophenyl)-6-(6-methyl-1H-benzimidazol-2-yl)imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 53232285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).