2-(4-phenylmethoxyphenyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-imidazo[4,5-b]pyridine

C24H22N4O — CID 90368190

IUPAC2-(4-phenylmethoxyphenyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-imidazo[4,5-b]pyridine
SMILESC1=C(c2ccc3[nH]c(-c4ccc(OCc5ccccc5)cc4)nc3n2)CCNC1
InChIInChI=1S/C24H22N4O/c1-2-4-17(5-3-1)16-29-20-8-6-19(7-9-20)23-27-22-11-10-21(26-24(22)28-23)18-12-14-25-15-13-18/h1-12,25H,13-16H2,(H,26,27,28)
InChIKeySBJDBZWCUTZBEV-UHFFFAOYSA-N
MW382.47 g/mol
LogP4.58
Rot. Bonds5

About 2-(4-phenylmethoxyphenyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-imidazo[4,5-b]pyridine

2-(4-phenylmethoxyphenyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-imidazo[4,5-b]pyridine (PubChem CID 90368190) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is 2-(4-phenylmethoxyphenyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(4-phenylmethoxyphenyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-imidazo[4,5-b]pyridine
PubChem CID90368190
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC Name2-(4-phenylmethoxyphenyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-imidazo[4,5-b]pyridine
SMILESC1=C(c2ccc3[nH]c(-c4ccc(OCc5ccccc5)cc4)nc3n2)CCNC1
InChIInChI=1S/C24H22N4O/c1-2-4-17(5-3-1)16-29-20-8-6-19(7-9-20)23-27-22-11-10-21(26-24(22)28-23)18-12-14-25-15-13-18/h1-12,25H,13-16H2,(H,26,27,28)
InChIKeySBJDBZWCUTZBEV-UHFFFAOYSA-N
XLogP4.58
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylmethoxyphenyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-(4-phenylmethoxyphenyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-imidazo[4,5-b]pyridine (CID 90368190) is 2-(4-phenylmethoxyphenyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(4-phenylmethoxyphenyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(4-phenylmethoxyphenyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-imidazo[4,5-b]pyridine is C1=C(c2ccc3[nH]c(-c4ccc(OCc5ccccc5)cc4)nc3n2)CCNC1.
What is the InChIKey of 2-(4-phenylmethoxyphenyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is SBJDBZWCUTZBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O/c1-2-4-17(5-3-1)16-29-20-8-6-19(7-9-20)23-27-22-11-10-21(26-24(22)28-23)18-12-14-25-15-13-18/h1-12,25H,13-16H2,(H,26,27,28).
What are the key properties of 2-(4-phenylmethoxyphenyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-imidazo[4,5-b]pyridine?
2-(4-phenylmethoxyphenyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 382.47 g/mol, XLogP of 4.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylmethoxyphenyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 90368190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).