2-[2-(1-phenylethoxy)phenyl]-3H-imidazo[4,5-c]pyridine

C20H17N3O — CID 19864779

IUPAC2-[2-(1-phenylethoxy)phenyl]-3H-imidazo[4,5-c]pyridine
SMILESCC(Oc1ccccc1-c1nc2ccncc2[nH]1)c1ccccc1
InChIInChI=1S/C20H17N3O/c1-14(15-7-3-2-4-8-15)24-19-10-6-5-9-16(19)20-22-17-11-12-21-13-18(17)23-20/h2-14H,1H3,(H,22,23)
InChIKeyAAIIIZGAJZLHQC-UHFFFAOYSA-N
MW315.38 g/mol
LogP4.76
Rot. Bonds4

About 2-[2-(1-phenylethoxy)phenyl]-3H-imidazo[4,5-c]pyridine

2-[2-(1-phenylethoxy)phenyl]-3H-imidazo[4,5-c]pyridine (PubChem CID 19864779) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is 2-[2-(1-phenylethoxy)phenyl]-3H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[2-(1-phenylethoxy)phenyl]-3H-imidazo[4,5-c]pyridine
PubChem CID19864779
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name2-[2-(1-phenylethoxy)phenyl]-3H-imidazo[4,5-c]pyridine
SMILESCC(Oc1ccccc1-c1nc2ccncc2[nH]1)c1ccccc1
InChIInChI=1S/C20H17N3O/c1-14(15-7-3-2-4-8-15)24-19-10-6-5-9-16(19)20-22-17-11-12-21-13-18(17)23-20/h2-14H,1H3,(H,22,23)
InChIKeyAAIIIZGAJZLHQC-UHFFFAOYSA-N
XLogP4.76
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-phenylethoxy)phenyl]-3H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-[2-(1-phenylethoxy)phenyl]-3H-imidazo[4,5-c]pyridine (CID 19864779) is 2-[2-(1-phenylethoxy)phenyl]-3H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-[2-(1-phenylethoxy)phenyl]-3H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-[2-(1-phenylethoxy)phenyl]-3H-imidazo[4,5-c]pyridine is CC(Oc1ccccc1-c1nc2ccncc2[nH]1)c1ccccc1.
What is the InChIKey of 2-[2-(1-phenylethoxy)phenyl]-3H-imidazo[4,5-c]pyridine?
The InChIKey is AAIIIZGAJZLHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c1-14(15-7-3-2-4-8-15)24-19-10-6-5-9-16(19)20-22-17-11-12-21-13-18(17)23-20/h2-14H,1H3,(H,22,23).
What are the key properties of 2-[2-(1-phenylethoxy)phenyl]-3H-imidazo[4,5-c]pyridine?
2-[2-(1-phenylethoxy)phenyl]-3H-imidazo[4,5-c]pyridine has a molecular weight of 315.38 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-phenylethoxy)phenyl]-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 19864779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).