2,4-dibromo-6-[[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]iminomethyl]phenol

C20H11Br2Cl2N3O — CID 2244514

IUPAC2,4-dibromo-6-[[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]iminomethyl]phenol
SMILESOc1c(Br)cc(Br)cc1C=Nc1c(-c2ccc(Cl)cc2Cl)nc2ccccn12
InChIInChI=1S/C20H11Br2Cl2N3O/c21-12-7-11(19(28)15(22)8-12)10-25-20-18(14-5-4-13(23)9-16(14)24)26-17-3-1-2-6-27(17)20/h1-10,28H
InChIKeyMBMXBDNORUAECC-UHFFFAOYSA-N
MW540.04 g/mol
LogP7.29
Rot. Bonds3

About 2,4-dibromo-6-[[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]iminomethyl]phenol

2,4-dibromo-6-[[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]iminomethyl]phenol (PubChem CID 2244514) has the molecular formula C20H11Br2Cl2N3O and a molecular weight of 540.04 g/mol. Its IUPAC name is 2,4-dibromo-6-[[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]iminomethyl]phenol.

Molecular Properties

Compound Name2,4-dibromo-6-[[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]iminomethyl]phenol
PubChem CID2244514
Molecular FormulaC20H11Br2Cl2N3O
Molecular Weight540.04 g/mol
Exact Mass536.86
IUPAC Name2,4-dibromo-6-[[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]iminomethyl]phenol
SMILESOc1c(Br)cc(Br)cc1C=Nc1c(-c2ccc(Cl)cc2Cl)nc2ccccn12
InChIInChI=1S/C20H11Br2Cl2N3O/c21-12-7-11(19(28)15(22)8-12)10-25-20-18(14-5-4-13(23)9-16(14)24)26-17-3-1-2-6-27(17)20/h1-10,28H
InChIKeyMBMXBDNORUAECC-UHFFFAOYSA-N
XLogP7.29
TPSA49.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.04
LogP ≤ 57.29
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 2,4-dibromo-6-[[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]iminomethyl]phenol?
The IUPAC name of 2,4-dibromo-6-[[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]iminomethyl]phenol (CID 2244514) is 2,4-dibromo-6-[[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]iminomethyl]phenol.
What is the SMILES notation for 2,4-dibromo-6-[[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]iminomethyl]phenol?
The canonical SMILES for 2,4-dibromo-6-[[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]iminomethyl]phenol is Oc1c(Br)cc(Br)cc1C=Nc1c(-c2ccc(Cl)cc2Cl)nc2ccccn12.
What is the InChIKey of 2,4-dibromo-6-[[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]iminomethyl]phenol?
The InChIKey is MBMXBDNORUAECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11Br2Cl2N3O/c21-12-7-11(19(28)15(22)8-12)10-25-20-18(14-5-4-13(23)9-16(14)24)26-17-3-1-2-6-27(17)20/h1-10,28H.
What are the key properties of 2,4-dibromo-6-[[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]iminomethyl]phenol?
2,4-dibromo-6-[[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]iminomethyl]phenol has a molecular weight of 540.04 g/mol, XLogP of 7.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-[[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]iminomethyl]phenol is sourced from PubChem (CID 2244514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).