2-[3,5-bis(phenylmethoxy)phenyl]-6-pent-1-en-2-yl-1H-imidazo[4,5-b]pyridine

C31H29N3O2 — CID 67490039

IUPAC2-[3,5-bis(phenylmethoxy)phenyl]-6-pent-1-en-2-yl-1H-imidazo[4,5-b]pyridine
SMILESC=C(CCC)c1cnc2nc(-c3cc(OCc4ccccc4)cc(OCc4ccccc4)c3)[nH]c2c1
InChIInChI=1S/C31H29N3O2/c1-3-10-22(2)26-17-29-31(32-19-26)34-30(33-29)25-15-27(35-20-23-11-6-4-7-12-23)18-28(16-25)36-21-24-13-8-5-9-14-24/h4-9,11-19H,2-3,10,20-21H2,1H3,(H,32,33,34)
InChIKeyNCGVQUJYBJZULQ-UHFFFAOYSA-N
MW475.59 g/mol
LogP7.60
Rot. Bonds10

About 2-[3,5-bis(phenylmethoxy)phenyl]-6-pent-1-en-2-yl-1H-imidazo[4,5-b]pyridine

2-[3,5-bis(phenylmethoxy)phenyl]-6-pent-1-en-2-yl-1H-imidazo[4,5-b]pyridine (PubChem CID 67490039) has the molecular formula C31H29N3O2 and a molecular weight of 475.59 g/mol. Its IUPAC name is 2-[3,5-bis(phenylmethoxy)phenyl]-6-pent-1-en-2-yl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[3,5-bis(phenylmethoxy)phenyl]-6-pent-1-en-2-yl-1H-imidazo[4,5-b]pyridine
PubChem CID67490039
Molecular FormulaC31H29N3O2
Molecular Weight475.59 g/mol
Exact Mass475.23
IUPAC Name2-[3,5-bis(phenylmethoxy)phenyl]-6-pent-1-en-2-yl-1H-imidazo[4,5-b]pyridine
SMILESC=C(CCC)c1cnc2nc(-c3cc(OCc4ccccc4)cc(OCc4ccccc4)c3)[nH]c2c1
InChIInChI=1S/C31H29N3O2/c1-3-10-22(2)26-17-29-31(32-19-26)34-30(33-29)25-15-27(35-20-23-11-6-4-7-12-23)18-28(16-25)36-21-24-13-8-5-9-14-24/h4-9,11-19H,2-3,10,20-21H2,1H3,(H,32,33,34)
InChIKeyNCGVQUJYBJZULQ-UHFFFAOYSA-N
XLogP7.60
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.59
LogP ≤ 57.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(phenylmethoxy)phenyl]-6-pent-1-en-2-yl-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-[3,5-bis(phenylmethoxy)phenyl]-6-pent-1-en-2-yl-1H-imidazo[4,5-b]pyridine (CID 67490039) is 2-[3,5-bis(phenylmethoxy)phenyl]-6-pent-1-en-2-yl-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[3,5-bis(phenylmethoxy)phenyl]-6-pent-1-en-2-yl-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[3,5-bis(phenylmethoxy)phenyl]-6-pent-1-en-2-yl-1H-imidazo[4,5-b]pyridine is C=C(CCC)c1cnc2nc(-c3cc(OCc4ccccc4)cc(OCc4ccccc4)c3)[nH]c2c1.
What is the InChIKey of 2-[3,5-bis(phenylmethoxy)phenyl]-6-pent-1-en-2-yl-1H-imidazo[4,5-b]pyridine?
The InChIKey is NCGVQUJYBJZULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29N3O2/c1-3-10-22(2)26-17-29-31(32-19-26)34-30(33-29)25-15-27(35-20-23-11-6-4-7-12-23)18-28(16-25)36-21-24-13-8-5-9-14-24/h4-9,11-19H,2-3,10,20-21H2,1H3,(H,32,33,34).
What are the key properties of 2-[3,5-bis(phenylmethoxy)phenyl]-6-pent-1-en-2-yl-1H-imidazo[4,5-b]pyridine?
2-[3,5-bis(phenylmethoxy)phenyl]-6-pent-1-en-2-yl-1H-imidazo[4,5-b]pyridine has a molecular weight of 475.59 g/mol, XLogP of 7.60, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(phenylmethoxy)phenyl]-6-pent-1-en-2-yl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 67490039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).