5-cyclopropyl-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine

C22H19N3O — CID 90368196

IUPAC5-cyclopropyl-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine
SMILESc1ccc(COc2ccc(-c3nc4nc(C5CC5)ccc4[nH]3)cc2)cc1
InChIInChI=1S/C22H19N3O/c1-2-4-15(5-3-1)14-26-18-10-8-17(9-11-18)21-24-20-13-12-19(16-6-7-16)23-22(20)25-21/h1-5,8-13,16H,6-7,14H2,(H,23,24,25)
InChIKeyZDJHHBMVXONGTD-UHFFFAOYSA-N
MW341.41 g/mol
LogP5.08
Rot. Bonds5

About 5-cyclopropyl-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine

5-cyclopropyl-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine (PubChem CID 90368196) has the molecular formula C22H19N3O and a molecular weight of 341.41 g/mol. Its IUPAC name is 5-cyclopropyl-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5-cyclopropyl-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine
PubChem CID90368196
Molecular FormulaC22H19N3O
Molecular Weight341.41 g/mol
Exact Mass341.15
IUPAC Name5-cyclopropyl-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine
SMILESc1ccc(COc2ccc(-c3nc4nc(C5CC5)ccc4[nH]3)cc2)cc1
InChIInChI=1S/C22H19N3O/c1-2-4-15(5-3-1)14-26-18-10-8-17(9-11-18)21-24-20-13-12-19(16-6-7-16)23-22(20)25-21/h1-5,8-13,16H,6-7,14H2,(H,23,24,25)
InChIKeyZDJHHBMVXONGTD-UHFFFAOYSA-N
XLogP5.08
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.41
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine
CID 90357310
2-(4-phenylmethoxyphenyl)-1H-benzimidazole
CID 159450012
4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-1,4-thiazinane 1-oxide
CID 90368139
5-(cyclohexen-1-yl)-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine;N-[[4-(6-cyclohexyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methyl]aniline;6-cyclohexyl-2-[4-(phenoxymethyl)phenyl]-1H-imidazo[4,5-b]pyridine;5-cyclohexyl-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine
CID 159198148
tert-butyl 3-[2-[4-(phenoxymethyl)phenyl]-1H-imidazo[4,5-b]pyridin-5-yl]piperidine-1-carboxylate;methane;2-[4-(phenoxymethyl)phenyl]-5-piperidin-3-yl-1H-imidazo[4,5-b]pyridine
CID 157166783
2-[4-[2-(4-phenylmethoxyphenoxy)ethoxy]phenyl]-1H-benzimidazole
CID 168555593
7-chloro-2-[4-(phenoxymethyl)phenyl]-5-piperidin-4-yl-1H-imidazo[4,5-b]pyridine;ethane
CID 144686694
tert-butyl 4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]piperidine-1-carboxylate
CID 122451438
5-cyclopentyl-3-(4-phenylmethoxyphenyl)-1H-1,2,4-triazole
CID 146533306
4-[2-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-1H-imidazol-5-yl]pyridine
CID 67791490
2-[3-(2-phenylethoxy)-5-phenylmethoxyphenyl]-1H-imidazo[4,5-b]pyridine
CID 59243231
5-(oxetan-3-yl)-3-(4-phenylmethoxyphenyl)-1H-1,2,4-triazole
CID 153483601

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 5-cyclopropyl-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine (CID 90368196) is 5-cyclopropyl-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 5-cyclopropyl-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 5-cyclopropyl-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine is c1ccc(COc2ccc(-c3nc4nc(C5CC5)ccc4[nH]3)cc2)cc1.
What is the InChIKey of 5-cyclopropyl-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is ZDJHHBMVXONGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O/c1-2-4-15(5-3-1)14-26-18-10-8-17(9-11-18)21-24-20-13-12-19(16-6-7-16)23-22(20)25-21/h1-5,8-13,16H,6-7,14H2,(H,23,24,25).
What are the key properties of 5-cyclopropyl-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine?
5-cyclopropyl-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 341.41 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 90368196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).