2-(4-bromophenyl)-6-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-N-phenylimidazo[1,2-a]pyridin-3-amine

C28H19BrClN5 — CID 50907280

IUPAC2-(4-bromophenyl)-6-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-N-phenylimidazo[1,2-a]pyridin-3-amine
SMILESClc1ccc(-c2cnc(-c3ccc4nc(-c5ccc(Br)cc5)c(Nc5ccccc5)n4c3)[nH]2)cc1
InChIInChI=1S/C28H19BrClN5/c29-21-11-6-19(7-12-21)26-28(32-23-4-2-1-3-5-23)35-17-20(10-15-25(35)34-26)27-31-16-24(33-27)18-8-13-22(30)14-9-18/h1-17,32H,(H,31,33)
InChIKeySRYPPDLIQLGKGR-UHFFFAOYSA-N
MW540.85 g/mol
LogP8.22
Rot. Bonds5

About 2-(4-bromophenyl)-6-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-N-phenylimidazo[1,2-a]pyridin-3-amine

2-(4-bromophenyl)-6-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-N-phenylimidazo[1,2-a]pyridin-3-amine (PubChem CID 50907280) has the molecular formula C28H19BrClN5 and a molecular weight of 540.85 g/mol. Its IUPAC name is 2-(4-bromophenyl)-6-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-N-phenylimidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name2-(4-bromophenyl)-6-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-N-phenylimidazo[1,2-a]pyridin-3-amine
PubChem CID50907280
Molecular FormulaC28H19BrClN5
Molecular Weight540.85 g/mol
Exact Mass539.05
IUPAC Name2-(4-bromophenyl)-6-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-N-phenylimidazo[1,2-a]pyridin-3-amine
SMILESClc1ccc(-c2cnc(-c3ccc4nc(-c5ccc(Br)cc5)c(Nc5ccccc5)n4c3)[nH]2)cc1
InChIInChI=1S/C28H19BrClN5/c29-21-11-6-19(7-12-21)26-28(32-23-4-2-1-3-5-23)35-17-20(10-15-25(35)34-26)27-31-16-24(33-27)18-8-13-22(30)14-9-18/h1-17,32H,(H,31,33)
InChIKeySRYPPDLIQLGKGR-UHFFFAOYSA-N
XLogP8.22
TPSA58.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.85
LogP ≤ 58.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-6-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-N-phenylimidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 2-(4-bromophenyl)-6-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-N-phenylimidazo[1,2-a]pyridin-3-amine (CID 50907280) is 2-(4-bromophenyl)-6-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-N-phenylimidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 2-(4-bromophenyl)-6-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-N-phenylimidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 2-(4-bromophenyl)-6-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-N-phenylimidazo[1,2-a]pyridin-3-amine is Clc1ccc(-c2cnc(-c3ccc4nc(-c5ccc(Br)cc5)c(Nc5ccccc5)n4c3)[nH]2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-6-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-N-phenylimidazo[1,2-a]pyridin-3-amine?
The InChIKey is SRYPPDLIQLGKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19BrClN5/c29-21-11-6-19(7-12-21)26-28(32-23-4-2-1-3-5-23)35-17-20(10-15-25(35)34-26)27-31-16-24(33-27)18-8-13-22(30)14-9-18/h1-17,32H,(H,31,33).
What are the key properties of 2-(4-bromophenyl)-6-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-N-phenylimidazo[1,2-a]pyridin-3-amine?
2-(4-bromophenyl)-6-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-N-phenylimidazo[1,2-a]pyridin-3-amine has a molecular weight of 540.85 g/mol, XLogP of 8.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-6-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-N-phenylimidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 50907280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).