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

C32H22BrN5O — CID 50907073

IUPAC2-(4-bromophenyl)-6-(6-phenoxy-1H-benzimidazol-2-yl)-N-phenylimidazo[1,2-a]pyridin-3-amine
SMILESBrc1ccc(-c2nc3ccc(-c4nc5ccc(Oc6ccccc6)cc5[nH]4)cn3c2Nc2ccccc2)cc1
InChIInChI=1S/C32H22BrN5O/c33-23-14-11-21(12-15-23)30-32(34-24-7-3-1-4-8-24)38-20-22(13-18-29(38)37-30)31-35-27-17-16-26(19-28(27)36-31)39-25-9-5-2-6-10-25/h1-20,34H,(H,35,36)
InChIKeyODZYCPVRFIWQQY-UHFFFAOYSA-N
MW572.47 g/mol
LogP8.84
Rot. Bonds6

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

2-(4-bromophenyl)-6-(6-phenoxy-1H-benzimidazol-2-yl)-N-phenylimidazo[1,2-a]pyridin-3-amine (PubChem CID 50907073) has the molecular formula C32H22BrN5O and a molecular weight of 572.47 g/mol. Its IUPAC name is 2-(4-bromophenyl)-6-(6-phenoxy-1H-benzimidazol-2-yl)-N-phenylimidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name2-(4-bromophenyl)-6-(6-phenoxy-1H-benzimidazol-2-yl)-N-phenylimidazo[1,2-a]pyridin-3-amine
PubChem CID50907073
Molecular FormulaC32H22BrN5O
Molecular Weight572.47 g/mol
Exact Mass571.10
IUPAC Name2-(4-bromophenyl)-6-(6-phenoxy-1H-benzimidazol-2-yl)-N-phenylimidazo[1,2-a]pyridin-3-amine
SMILESBrc1ccc(-c2nc3ccc(-c4nc5ccc(Oc6ccccc6)cc5[nH]4)cn3c2Nc2ccccc2)cc1
InChIInChI=1S/C32H22BrN5O/c33-23-14-11-21(12-15-23)30-32(34-24-7-3-1-4-8-24)38-20-22(13-18-29(38)37-30)31-35-27-17-16-26(19-28(27)36-31)39-25-9-5-2-6-10-25/h1-20,34H,(H,35,36)
InChIKeyODZYCPVRFIWQQY-UHFFFAOYSA-N
XLogP8.84
TPSA67.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.47
LogP ≤ 58.84
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-(6-phenoxy-1H-benzimidazol-2-yl)-N-phenylimidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 2-(4-bromophenyl)-6-(6-phenoxy-1H-benzimidazol-2-yl)-N-phenylimidazo[1,2-a]pyridin-3-amine (CID 50907073) is 2-(4-bromophenyl)-6-(6-phenoxy-1H-benzimidazol-2-yl)-N-phenylimidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 2-(4-bromophenyl)-6-(6-phenoxy-1H-benzimidazol-2-yl)-N-phenylimidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 2-(4-bromophenyl)-6-(6-phenoxy-1H-benzimidazol-2-yl)-N-phenylimidazo[1,2-a]pyridin-3-amine is Brc1ccc(-c2nc3ccc(-c4nc5ccc(Oc6ccccc6)cc5[nH]4)cn3c2Nc2ccccc2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-6-(6-phenoxy-1H-benzimidazol-2-yl)-N-phenylimidazo[1,2-a]pyridin-3-amine?
The InChIKey is ODZYCPVRFIWQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22BrN5O/c33-23-14-11-21(12-15-23)30-32(34-24-7-3-1-4-8-24)38-20-22(13-18-29(38)37-30)31-35-27-17-16-26(19-28(27)36-31)39-25-9-5-2-6-10-25/h1-20,34H,(H,35,36).
What are the key properties of 2-(4-bromophenyl)-6-(6-phenoxy-1H-benzimidazol-2-yl)-N-phenylimidazo[1,2-a]pyridin-3-amine?
2-(4-bromophenyl)-6-(6-phenoxy-1H-benzimidazol-2-yl)-N-phenylimidazo[1,2-a]pyridin-3-amine has a molecular weight of 572.47 g/mol, XLogP of 8.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-6-(6-phenoxy-1H-benzimidazol-2-yl)-N-phenylimidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 50907073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).