N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-phenylimidazo[1,2-a]pyridin-8-amine

C24H21N5O — CID 67415502

IUPACN-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-phenylimidazo[1,2-a]pyridin-8-amine
SMILESCOc1cc(Nc2cccn3cc(-c4ccccc4)nc23)ccc1-n1cnc(C)c1
InChIInChI=1S/C24H21N5O/c1-17-14-29(16-25-17)22-11-10-19(13-23(22)30-2)26-20-9-6-12-28-15-21(27-24(20)28)18-7-4-3-5-8-18/h3-16,26H,1-2H3
InChIKeyXCWPHVYPYBQTGC-UHFFFAOYSA-N
MW395.47 g/mol
LogP5.25
Rot. Bonds5

About N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-phenylimidazo[1,2-a]pyridin-8-amine

N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-phenylimidazo[1,2-a]pyridin-8-amine (PubChem CID 67415502) has the molecular formula C24H21N5O and a molecular weight of 395.47 g/mol. Its IUPAC name is N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-phenylimidazo[1,2-a]pyridin-8-amine.

Molecular Properties

Compound NameN-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-phenylimidazo[1,2-a]pyridin-8-amine
PubChem CID67415502
Molecular FormulaC24H21N5O
Molecular Weight395.47 g/mol
Exact Mass395.17
IUPAC NameN-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-phenylimidazo[1,2-a]pyridin-8-amine
SMILESCOc1cc(Nc2cccn3cc(-c4ccccc4)nc23)ccc1-n1cnc(C)c1
InChIInChI=1S/C24H21N5O/c1-17-14-29(16-25-17)22-11-10-19(13-23(22)30-2)26-20-9-6-12-28-15-21(27-24(20)28)18-7-4-3-5-8-18/h3-16,26H,1-2H3
InChIKeyXCWPHVYPYBQTGC-UHFFFAOYSA-N
XLogP5.25
TPSA56.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.47
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-phenylimidazo[1,2-a]pyridin-8-amine?
The IUPAC name of N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-phenylimidazo[1,2-a]pyridin-8-amine (CID 67415502) is N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-phenylimidazo[1,2-a]pyridin-8-amine.
What is the SMILES notation for N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-phenylimidazo[1,2-a]pyridin-8-amine?
The canonical SMILES for N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-phenylimidazo[1,2-a]pyridin-8-amine is COc1cc(Nc2cccn3cc(-c4ccccc4)nc23)ccc1-n1cnc(C)c1.
What is the InChIKey of N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-phenylimidazo[1,2-a]pyridin-8-amine?
The InChIKey is XCWPHVYPYBQTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O/c1-17-14-29(16-25-17)22-11-10-19(13-23(22)30-2)26-20-9-6-12-28-15-21(27-24(20)28)18-7-4-3-5-8-18/h3-16,26H,1-2H3.
What are the key properties of N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-phenylimidazo[1,2-a]pyridin-8-amine?
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-phenylimidazo[1,2-a]pyridin-8-amine has a molecular weight of 395.47 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-phenylimidazo[1,2-a]pyridin-8-amine is sourced from PubChem (CID 67415502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).