3-[2-(4-phenylmethoxyphenyl)-1H-imidazol-5-yl]pyridine

C21H17N3O — CID 141253849

IUPAC3-[2-(4-phenylmethoxyphenyl)-1H-imidazol-5-yl]pyridine
SMILESc1ccc(COc2ccc(-c3ncc(-c4cccnc4)[nH]3)cc2)cc1
InChIInChI=1S/C21H17N3O/c1-2-5-16(6-3-1)15-25-19-10-8-17(9-11-19)21-23-14-20(24-21)18-7-4-12-22-13-18/h1-14H,15H2,(H,23,24)
InChIKeyGKGWSSAYBMTWRK-UHFFFAOYSA-N
MW327.39 g/mol
LogP4.72
Rot. Bonds5

About 3-[2-(4-phenylmethoxyphenyl)-1H-imidazol-5-yl]pyridine

3-[2-(4-phenylmethoxyphenyl)-1H-imidazol-5-yl]pyridine (PubChem CID 141253849) has the molecular formula C21H17N3O and a molecular weight of 327.39 g/mol. Its IUPAC name is 3-[2-(4-phenylmethoxyphenyl)-1H-imidazol-5-yl]pyridine.

Molecular Properties

Compound Name3-[2-(4-phenylmethoxyphenyl)-1H-imidazol-5-yl]pyridine
PubChem CID141253849
Molecular FormulaC21H17N3O
Molecular Weight327.39 g/mol
Exact Mass327.14
IUPAC Name3-[2-(4-phenylmethoxyphenyl)-1H-imidazol-5-yl]pyridine
SMILESc1ccc(COc2ccc(-c3ncc(-c4cccnc4)[nH]3)cc2)cc1
InChIInChI=1S/C21H17N3O/c1-2-5-16(6-3-1)15-25-19-10-8-17(9-11-19)21-23-14-20(24-21)18-7-4-12-22-13-18/h1-14H,15H2,(H,23,24)
InChIKeyGKGWSSAYBMTWRK-UHFFFAOYSA-N
XLogP4.72
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-phenoxyphenyl)-2-[4-[5-(4-phenoxyphenyl)-1H-imidazol-2-yl]phenyl]-1H-imidazole
CID 102431861
2-(phenoxymethyl)-5-[4-(4-phenylmethoxyphenoxy)phenyl]-1H-imidazole
CID 11487705
5-(2-methoxy-4-phenylmethoxyphenyl)-2-phenyl-1H-imidazole;hydrochloride
CID 158418618
3-(phenoxymethyl)pyridine;hydrochloride
CID 157085776
3-[[4-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 91147542
2-(4-chlorophenyl)-5-(2-methoxy-4-phenylmethoxyphenyl)-1H-imidazole
CID 58510130
2,5-diphenyl-1H-imidazole;1H-pyrrole
CID 174802105
2-(4-phenylmethoxyphenyl)-1H-benzimidazole
CID 159450012
5-(2-methoxy-4-phenylmethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1H-imidazole
CID 58510131
5-naphthalen-2-yl-2-phenyl-1H-imidazole
CID 10038778
7-phenylmethoxy-4-pyridin-3-ylquinazoline
CID 69163736
3-[2-[(4-methoxyphenyl)methyl]-1H-imidazol-5-yl]pyridine
CID 99963203

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-phenylmethoxyphenyl)-1H-imidazol-5-yl]pyridine?
The IUPAC name of 3-[2-(4-phenylmethoxyphenyl)-1H-imidazol-5-yl]pyridine (CID 141253849) is 3-[2-(4-phenylmethoxyphenyl)-1H-imidazol-5-yl]pyridine.
What is the SMILES notation for 3-[2-(4-phenylmethoxyphenyl)-1H-imidazol-5-yl]pyridine?
The canonical SMILES for 3-[2-(4-phenylmethoxyphenyl)-1H-imidazol-5-yl]pyridine is c1ccc(COc2ccc(-c3ncc(-c4cccnc4)[nH]3)cc2)cc1.
What is the InChIKey of 3-[2-(4-phenylmethoxyphenyl)-1H-imidazol-5-yl]pyridine?
The InChIKey is GKGWSSAYBMTWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O/c1-2-5-16(6-3-1)15-25-19-10-8-17(9-11-19)21-23-14-20(24-21)18-7-4-12-22-13-18/h1-14H,15H2,(H,23,24).
What are the key properties of 3-[2-(4-phenylmethoxyphenyl)-1H-imidazol-5-yl]pyridine?
3-[2-(4-phenylmethoxyphenyl)-1H-imidazol-5-yl]pyridine has a molecular weight of 327.39 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-phenylmethoxyphenyl)-1H-imidazol-5-yl]pyridine is sourced from PubChem (CID 141253849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).