4-bromo-2-[(2-phenylimidazo[1,2-a]pyridin-8-yl)iminomethyl]phenol

C20H14BrN3O — CID 135472774

IUPAC4-bromo-2-[(2-phenylimidazo[1,2-a]pyridin-8-yl)iminomethyl]phenol
SMILESOc1ccc(Br)cc1/C=N/c1cccn2cc(-c3ccccc3)nc12
InChIInChI=1S/C20H14BrN3O/c21-16-8-9-19(25)15(11-16)12-22-17-7-4-10-24-13-18(23-20(17)24)14-5-2-1-3-6-14/h1-13,25H/b22-12+
InChIKeyRNFBNZKVTPGHIR-WSDLNYQXSA-N
MW392.26 g/mol
LogP5.22
Rot. Bonds3

About 4-bromo-2-[(2-phenylimidazo[1,2-a]pyridin-8-yl)iminomethyl]phenol

4-bromo-2-[(2-phenylimidazo[1,2-a]pyridin-8-yl)iminomethyl]phenol (PubChem CID 135472774) has the molecular formula C20H14BrN3O and a molecular weight of 392.26 g/mol. Its IUPAC name is 4-bromo-2-[(2-phenylimidazo[1,2-a]pyridin-8-yl)iminomethyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[(2-phenylimidazo[1,2-a]pyridin-8-yl)iminomethyl]phenol
PubChem CID135472774
Molecular FormulaC20H14BrN3O
Molecular Weight392.26 g/mol
Exact Mass391.03
IUPAC Name4-bromo-2-[(2-phenylimidazo[1,2-a]pyridin-8-yl)iminomethyl]phenol
SMILESOc1ccc(Br)cc1/C=N/c1cccn2cc(-c3ccccc3)nc12
InChIInChI=1S/C20H14BrN3O/c21-16-8-9-19(25)15(11-16)12-22-17-7-4-10-24-13-18(23-20(17)24)14-5-2-1-3-6-14/h1-13,25H/b22-12+
InChIKeyRNFBNZKVTPGHIR-WSDLNYQXSA-N
XLogP5.22
TPSA49.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.26
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(2-phenylimidazo[1,2-a]pyridin-8-yl)iminomethyl]phenol?
The IUPAC name of 4-bromo-2-[(2-phenylimidazo[1,2-a]pyridin-8-yl)iminomethyl]phenol (CID 135472774) is 4-bromo-2-[(2-phenylimidazo[1,2-a]pyridin-8-yl)iminomethyl]phenol.
What is the SMILES notation for 4-bromo-2-[(2-phenylimidazo[1,2-a]pyridin-8-yl)iminomethyl]phenol?
The canonical SMILES for 4-bromo-2-[(2-phenylimidazo[1,2-a]pyridin-8-yl)iminomethyl]phenol is Oc1ccc(Br)cc1/C=N/c1cccn2cc(-c3ccccc3)nc12.
What is the InChIKey of 4-bromo-2-[(2-phenylimidazo[1,2-a]pyridin-8-yl)iminomethyl]phenol?
The InChIKey is RNFBNZKVTPGHIR-WSDLNYQXSA-N. The full InChI is InChI=1S/C20H14BrN3O/c21-16-8-9-19(25)15(11-16)12-22-17-7-4-10-24-13-18(23-20(17)24)14-5-2-1-3-6-14/h1-13,25H/b22-12+.
What are the key properties of 4-bromo-2-[(2-phenylimidazo[1,2-a]pyridin-8-yl)iminomethyl]phenol?
4-bromo-2-[(2-phenylimidazo[1,2-a]pyridin-8-yl)iminomethyl]phenol has a molecular weight of 392.26 g/mol, XLogP of 5.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(2-phenylimidazo[1,2-a]pyridin-8-yl)iminomethyl]phenol is sourced from PubChem (CID 135472774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).