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

C34H24BrN5O — CID 50907281

IUPAC2-(4-bromophenyl)-6-[5-(4-phenoxyphenyl)-1H-imidazol-2-yl]-N-phenylimidazo[1,2-a]pyridin-3-amine
SMILESBrc1ccc(-c2nc3ccc(-c4ncc(-c5ccc(Oc6ccccc6)cc5)[nH]4)cn3c2Nc2ccccc2)cc1
InChIInChI=1S/C34H24BrN5O/c35-26-16-11-24(12-17-26)32-34(37-27-7-3-1-4-8-27)40-22-25(15-20-31(40)39-32)33-36-21-30(38-33)23-13-18-29(19-14-23)41-28-9-5-2-6-10-28/h1-22,37H,(H,36,38)
InChIKeyNSPVPTOXCFHYKN-UHFFFAOYSA-N
MW598.50 g/mol
LogP9.36
Rot. Bonds7

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

2-(4-bromophenyl)-6-[5-(4-phenoxyphenyl)-1H-imidazol-2-yl]-N-phenylimidazo[1,2-a]pyridin-3-amine (PubChem CID 50907281) has the molecular formula C34H24BrN5O and a molecular weight of 598.50 g/mol. Its IUPAC name is 2-(4-bromophenyl)-6-[5-(4-phenoxyphenyl)-1H-imidazol-2-yl]-N-phenylimidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name2-(4-bromophenyl)-6-[5-(4-phenoxyphenyl)-1H-imidazol-2-yl]-N-phenylimidazo[1,2-a]pyridin-3-amine
PubChem CID50907281
Molecular FormulaC34H24BrN5O
Molecular Weight598.50 g/mol
Exact Mass597.12
IUPAC Name2-(4-bromophenyl)-6-[5-(4-phenoxyphenyl)-1H-imidazol-2-yl]-N-phenylimidazo[1,2-a]pyridin-3-amine
SMILESBrc1ccc(-c2nc3ccc(-c4ncc(-c5ccc(Oc6ccccc6)cc5)[nH]4)cn3c2Nc2ccccc2)cc1
InChIInChI=1S/C34H24BrN5O/c35-26-16-11-24(12-17-26)32-34(37-27-7-3-1-4-8-27)40-22-25(15-20-31(40)39-32)33-36-21-30(38-33)23-13-18-29(19-14-23)41-28-9-5-2-6-10-28/h1-22,37H,(H,36,38)
InChIKeyNSPVPTOXCFHYKN-UHFFFAOYSA-N
XLogP9.36
TPSA67.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.50
LogP ≤ 59.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-6-[5-(4-phenoxyphenyl)-1H-imidazol-2-yl]-N-phenylimidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 2-(4-bromophenyl)-6-[5-(4-phenoxyphenyl)-1H-imidazol-2-yl]-N-phenylimidazo[1,2-a]pyridin-3-amine (CID 50907281) is 2-(4-bromophenyl)-6-[5-(4-phenoxyphenyl)-1H-imidazol-2-yl]-N-phenylimidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 2-(4-bromophenyl)-6-[5-(4-phenoxyphenyl)-1H-imidazol-2-yl]-N-phenylimidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 2-(4-bromophenyl)-6-[5-(4-phenoxyphenyl)-1H-imidazol-2-yl]-N-phenylimidazo[1,2-a]pyridin-3-amine is Brc1ccc(-c2nc3ccc(-c4ncc(-c5ccc(Oc6ccccc6)cc5)[nH]4)cn3c2Nc2ccccc2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-6-[5-(4-phenoxyphenyl)-1H-imidazol-2-yl]-N-phenylimidazo[1,2-a]pyridin-3-amine?
The InChIKey is NSPVPTOXCFHYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24BrN5O/c35-26-16-11-24(12-17-26)32-34(37-27-7-3-1-4-8-27)40-22-25(15-20-31(40)39-32)33-36-21-30(38-33)23-13-18-29(19-14-23)41-28-9-5-2-6-10-28/h1-22,37H,(H,36,38).
What are the key properties of 2-(4-bromophenyl)-6-[5-(4-phenoxyphenyl)-1H-imidazol-2-yl]-N-phenylimidazo[1,2-a]pyridin-3-amine?
2-(4-bromophenyl)-6-[5-(4-phenoxyphenyl)-1H-imidazol-2-yl]-N-phenylimidazo[1,2-a]pyridin-3-amine has a molecular weight of 598.50 g/mol, XLogP of 9.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-6-[5-(4-phenoxyphenyl)-1H-imidazol-2-yl]-N-phenylimidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 50907281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).