2-chloro-5-[5-[2-methoxy-4-[(5-methyl-2-pyridinyl)methoxy]phenyl]-1H-imidazol-2-yl]pyridine

C22H19ClN4O2 — CID 148816852

IUPAC2-chloro-5-[5-[2-methoxy-4-[(5-methyl-2-pyridinyl)methoxy]phenyl]-1H-imidazol-2-yl]pyridine
SMILESCOc1cc(OCc2ccc(C)cn2)ccc1-c1cnc(-c2ccc(Cl)nc2)[nH]1
InChIInChI=1S/C22H19ClN4O2/c1-14-3-5-16(24-10-14)13-29-17-6-7-18(20(9-17)28-2)19-12-26-22(27-19)15-4-8-21(23)25-11-15/h3-12H,13H2,1-2H3,(H,26,27)
InChIKeyOQZOWOBUBCRGIO-UHFFFAOYSA-N
MW406.87 g/mol
LogP5.08
Rot. Bonds6

About 2-chloro-5-[5-[2-methoxy-4-[(5-methyl-2-pyridinyl)methoxy]phenyl]-1H-imidazol-2-yl]pyridine

2-chloro-5-[5-[2-methoxy-4-[(5-methyl-2-pyridinyl)methoxy]phenyl]-1H-imidazol-2-yl]pyridine (PubChem CID 148816852) has the molecular formula C22H19ClN4O2 and a molecular weight of 406.87 g/mol. Its IUPAC name is 2-chloro-5-[5-[2-methoxy-4-[(5-methyl-2-pyridinyl)methoxy]phenyl]-1H-imidazol-2-yl]pyridine.

Molecular Properties

Compound Name2-chloro-5-[5-[2-methoxy-4-[(5-methyl-2-pyridinyl)methoxy]phenyl]-1H-imidazol-2-yl]pyridine
PubChem CID148816852
Molecular FormulaC22H19ClN4O2
Molecular Weight406.87 g/mol
Exact Mass406.12
IUPAC Name2-chloro-5-[5-[2-methoxy-4-[(5-methyl-2-pyridinyl)methoxy]phenyl]-1H-imidazol-2-yl]pyridine
SMILESCOc1cc(OCc2ccc(C)cn2)ccc1-c1cnc(-c2ccc(Cl)nc2)[nH]1
InChIInChI=1S/C22H19ClN4O2/c1-14-3-5-16(24-10-14)13-29-17-6-7-18(20(9-17)28-2)19-12-26-22(27-19)15-4-8-21(23)25-11-15/h3-12H,13H2,1-2H3,(H,26,27)
InChIKeyOQZOWOBUBCRGIO-UHFFFAOYSA-N
XLogP5.08
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.87
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-5-[5-[2-methoxy-4-[(5-methyl-2-pyridinyl)methoxy]phenyl]-1H-imidazol-2-yl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[5-[2-methoxy-4-[(5-methyl-2-pyridinyl)methoxy]phenyl]-1H-imidazol-2-yl]pyridine?
The IUPAC name of 2-chloro-5-[5-[2-methoxy-4-[(5-methyl-2-pyridinyl)methoxy]phenyl]-1H-imidazol-2-yl]pyridine (CID 148816852) is 2-chloro-5-[5-[2-methoxy-4-[(5-methyl-2-pyridinyl)methoxy]phenyl]-1H-imidazol-2-yl]pyridine.
What is the SMILES notation for 2-chloro-5-[5-[2-methoxy-4-[(5-methyl-2-pyridinyl)methoxy]phenyl]-1H-imidazol-2-yl]pyridine?
The canonical SMILES for 2-chloro-5-[5-[2-methoxy-4-[(5-methyl-2-pyridinyl)methoxy]phenyl]-1H-imidazol-2-yl]pyridine is COc1cc(OCc2ccc(C)cn2)ccc1-c1cnc(-c2ccc(Cl)nc2)[nH]1.
What is the InChIKey of 2-chloro-5-[5-[2-methoxy-4-[(5-methyl-2-pyridinyl)methoxy]phenyl]-1H-imidazol-2-yl]pyridine?
The InChIKey is OQZOWOBUBCRGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O2/c1-14-3-5-16(24-10-14)13-29-17-6-7-18(20(9-17)28-2)19-12-26-22(27-19)15-4-8-21(23)25-11-15/h3-12H,13H2,1-2H3,(H,26,27).
What are the key properties of 2-chloro-5-[5-[2-methoxy-4-[(5-methyl-2-pyridinyl)methoxy]phenyl]-1H-imidazol-2-yl]pyridine?
2-chloro-5-[5-[2-methoxy-4-[(5-methyl-2-pyridinyl)methoxy]phenyl]-1H-imidazol-2-yl]pyridine has a molecular weight of 406.87 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[5-[2-methoxy-4-[(5-methyl-2-pyridinyl)methoxy]phenyl]-1H-imidazol-2-yl]pyridine is sourced from PubChem (CID 148816852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).