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

C20H13Cl2N3O — CID 1237435

IUPAC2-[[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]iminomethyl]phenol
SMILESOc1ccccc1C=Nc1c(-c2ccc(Cl)cc2Cl)nc2ccccn12
InChIInChI=1S/C20H13Cl2N3O/c21-14-8-9-15(16(22)11-14)19-20(25-10-4-3-7-18(25)24-19)23-12-13-5-1-2-6-17(13)26/h1-12,26H
InChIKeyXOVOCXRWJGACKI-UHFFFAOYSA-N
MW382.25 g/mol
LogP5.76
Rot. Bonds3

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

2-[[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]iminomethyl]phenol (PubChem CID 1237435) has the molecular formula C20H13Cl2N3O and a molecular weight of 382.25 g/mol. Its IUPAC name is 2-[[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]iminomethyl]phenol.

Molecular Properties

Compound Name2-[[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]iminomethyl]phenol
PubChem CID1237435
Molecular FormulaC20H13Cl2N3O
Molecular Weight382.25 g/mol
Exact Mass381.04
IUPAC Name2-[[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]iminomethyl]phenol
SMILESOc1ccccc1C=Nc1c(-c2ccc(Cl)cc2Cl)nc2ccccn12
InChIInChI=1S/C20H13Cl2N3O/c21-14-8-9-15(16(22)11-14)19-20(25-10-4-3-7-18(25)24-19)23-12-13-5-1-2-6-17(13)26/h1-12,26H
InChIKeyXOVOCXRWJGACKI-UHFFFAOYSA-N
XLogP5.76
TPSA49.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.25
LogP ≤ 55.76
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-[[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]iminomethyl]phenol?
The IUPAC name of 2-[[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]iminomethyl]phenol (CID 1237435) is 2-[[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]iminomethyl]phenol.
What is the SMILES notation for 2-[[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]iminomethyl]phenol?
The canonical SMILES for 2-[[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]iminomethyl]phenol is Oc1ccccc1C=Nc1c(-c2ccc(Cl)cc2Cl)nc2ccccn12.
What is the InChIKey of 2-[[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]iminomethyl]phenol?
The InChIKey is XOVOCXRWJGACKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2N3O/c21-14-8-9-15(16(22)11-14)19-20(25-10-4-3-7-18(25)24-19)23-12-13-5-1-2-6-17(13)26/h1-12,26H.
What are the key properties of 2-[[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]iminomethyl]phenol?
2-[[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]iminomethyl]phenol has a molecular weight of 382.25 g/mol, XLogP of 5.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]iminomethyl]phenol is sourced from PubChem (CID 1237435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).