2-[3-[3-methoxy-5-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-4-(3-phenoxyphenyl)pyridine

C34H29N3O3 — CID 168758176

IUPAC2-[3-[3-methoxy-5-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-4-(3-phenoxyphenyl)pyridine
SMILESCOc1cc(Oc2cccc(-c3cc(-c4cccc(Oc5ccccc5)c4)ccn3)c2)cc(N2C=CN(C)C2)c1
InChIInChI=1S/C34H29N3O3/c1-36-16-17-37(24-36)28-21-32(38-2)23-33(22-28)40-31-13-7-9-27(19-31)34-20-26(14-15-35-34)25-8-6-12-30(18-25)39-29-10-4-3-5-11-29/h3-23H,24H2,1-2H3
InChIKeyNBXLPKPSHWLAOH-UHFFFAOYSA-N
MW527.62 g/mol
LogP8.19
Rot. Bonds8

About 2-[3-[3-methoxy-5-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-4-(3-phenoxyphenyl)pyridine

2-[3-[3-methoxy-5-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-4-(3-phenoxyphenyl)pyridine (PubChem CID 168758176) has the molecular formula C34H29N3O3 and a molecular weight of 527.62 g/mol. Its IUPAC name is 2-[3-[3-methoxy-5-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-4-(3-phenoxyphenyl)pyridine.

Molecular Properties

Compound Name2-[3-[3-methoxy-5-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-4-(3-phenoxyphenyl)pyridine
PubChem CID168758176
Molecular FormulaC34H29N3O3
Molecular Weight527.62 g/mol
Exact Mass527.22
IUPAC Name2-[3-[3-methoxy-5-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-4-(3-phenoxyphenyl)pyridine
SMILESCOc1cc(Oc2cccc(-c3cc(-c4cccc(Oc5ccccc5)c4)ccn3)c2)cc(N2C=CN(C)C2)c1
InChIInChI=1S/C34H29N3O3/c1-36-16-17-37(24-36)28-21-32(38-2)23-33(22-28)40-31-13-7-9-27(19-31)34-20-26(14-15-35-34)25-8-6-12-30(18-25)39-29-10-4-3-5-11-29/h3-23H,24H2,1-2H3
InChIKeyNBXLPKPSHWLAOH-UHFFFAOYSA-N
XLogP8.19
TPSA47.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.62
LogP ≤ 58.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]-5-pyrrolidin-1-ylphenyl]-4-(3-phenoxyphenyl)pyridine
CID 168758544
4-(2,4-diphenylphenyl)-2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]pyridine
CID 168763379
4-phenyl-2-[3-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]phenyl]pyridine
CID 168763339
2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-4-(3-phenoxyphenyl)-3-phenylpyridine
CID 168758447
1-phenyl-3-[3-(4-phenylphenyl)-5-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenoxy]phenyl]-2H-benzimidazole
CID 140825520
1-methyl-2-[3-[3-(4-phenyl-2-pyridinyl)phenoxy]phenyl]benzimidazole
CID 162138399
3-[3-methyl-2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]imidazol-4-yl]pyridine
CID 140730853
2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-5-pyridin-3-yl-1,3-oxazole
CID 140729683
2-[3-[3-(3-methylimidazole-1,3-diium-1-yl)phenoxy]phenyl]-4-(3-phenoxyphenyl)pyridine
CID 168758183
4-phenyl-2-(3-phenylphenyl)pyridine
CID 58028222
N,N-dimethyl-3-(3-methylimidazole-1,3-diium-1-yl)-5-[3-[4-(3-phenoxyphenyl)-2-pyridinyl]phenoxy]aniline
CID 168758393
2-[3-[3-tert-butyl-5-(3-methylimidazole-1,3-diium-1-yl)phenoxy]phenyl]-4-(3-phenoxyphenyl)pyridine
CID 168758464

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-methoxy-5-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-4-(3-phenoxyphenyl)pyridine?
The IUPAC name of 2-[3-[3-methoxy-5-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-4-(3-phenoxyphenyl)pyridine (CID 168758176) is 2-[3-[3-methoxy-5-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-4-(3-phenoxyphenyl)pyridine.
What is the SMILES notation for 2-[3-[3-methoxy-5-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-4-(3-phenoxyphenyl)pyridine?
The canonical SMILES for 2-[3-[3-methoxy-5-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-4-(3-phenoxyphenyl)pyridine is COc1cc(Oc2cccc(-c3cc(-c4cccc(Oc5ccccc5)c4)ccn3)c2)cc(N2C=CN(C)C2)c1.
What is the InChIKey of 2-[3-[3-methoxy-5-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-4-(3-phenoxyphenyl)pyridine?
The InChIKey is NBXLPKPSHWLAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H29N3O3/c1-36-16-17-37(24-36)28-21-32(38-2)23-33(22-28)40-31-13-7-9-27(19-31)34-20-26(14-15-35-34)25-8-6-12-30(18-25)39-29-10-4-3-5-11-29/h3-23H,24H2,1-2H3.
What are the key properties of 2-[3-[3-methoxy-5-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-4-(3-phenoxyphenyl)pyridine?
2-[3-[3-methoxy-5-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-4-(3-phenoxyphenyl)pyridine has a molecular weight of 527.62 g/mol, XLogP of 8.19, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-methoxy-5-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-4-(3-phenoxyphenyl)pyridine is sourced from PubChem (CID 168758176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).