2-[3-(N-[6-(3-methyl-2H-imidazol-1-yl)-2-pyridinyl]anilino)phenoxy]phenol

C27H24N4O2 — CID 140679657

IUPAC2-[3-(N-[6-(3-methyl-2H-imidazol-1-yl)-2-pyridinyl]anilino)phenoxy]phenol
SMILESCN1C=CN(c2cccc(N(c3ccccc3)c3cccc(Oc4ccccc4O)c3)n2)C1
InChIInChI=1S/C27H24N4O2/c1-29-17-18-30(20-29)26-15-8-16-27(28-26)31(21-9-3-2-4-10-21)22-11-7-12-23(19-22)33-25-14-6-5-13-24(25)32/h2-19,32H,20H2,1H3
InChIKeyZBSODVYGRJOHIW-UHFFFAOYSA-N
MW436.52 g/mol
LogP6.23
Rot. Bonds6

About 2-[3-(N-[6-(3-methyl-2H-imidazol-1-yl)-2-pyridinyl]anilino)phenoxy]phenol

2-[3-(N-[6-(3-methyl-2H-imidazol-1-yl)-2-pyridinyl]anilino)phenoxy]phenol (PubChem CID 140679657) has the molecular formula C27H24N4O2 and a molecular weight of 436.52 g/mol. Its IUPAC name is 2-[3-(N-[6-(3-methyl-2H-imidazol-1-yl)-2-pyridinyl]anilino)phenoxy]phenol.

Molecular Properties

Compound Name2-[3-(N-[6-(3-methyl-2H-imidazol-1-yl)-2-pyridinyl]anilino)phenoxy]phenol
PubChem CID140679657
Molecular FormulaC27H24N4O2
Molecular Weight436.52 g/mol
Exact Mass436.19
IUPAC Name2-[3-(N-[6-(3-methyl-2H-imidazol-1-yl)-2-pyridinyl]anilino)phenoxy]phenol
SMILESCN1C=CN(c2cccc(N(c3ccccc3)c3cccc(Oc4ccccc4O)c3)n2)C1
InChIInChI=1S/C27H24N4O2/c1-29-17-18-30(20-29)26-15-8-16-27(28-26)31(21-9-3-2-4-10-21)22-11-7-12-23(19-22)33-25-14-6-5-13-24(25)32/h2-19,32H,20H2,1H3
InChIKeyZBSODVYGRJOHIW-UHFFFAOYSA-N
XLogP6.23
TPSA52.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.52
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[[6-(3-methyl-2H-imidazol-1-yl)-2-pyridinyl]-diphenylsilyl]phenoxy]phenol
CID 140679665
N-[3-[4-(3-methyl-2H-imidazol-1-yl)dibenzothiophen-2-yl]oxyphenyl]-N-phenylpyridin-2-amine
CID 153432016
6-[bis[6-(N-(2-methoxyphenyl)anilino)-2-pyridinyl]phosphoryl]-N-(2-methylphenyl)-N-phenylpyridin-2-amine;6-[bis[6-(N-(2-methylphenyl)anilino)-2-pyridinyl]phosphoryl]-N-(2-methylphenyl)-N-phenylpyridin-2-amine;6-[bis[6-(N-(3-phenoxyphenyl)anilino)-2-pyridinyl]phosphoryl]-N-(3-phenoxyphenyl)-N-phenylpyridin-2-amine;6-[bis[6-(N-phenylanilino)-2-pyridinyl]phosphoryl]-N,N-diphenylpyridin-2-amine
CID 158143943
2-(3-methylphenoxy)phenol
CID 22051950
2-[6-(2-hydroxyphenoxy)naphthalen-2-yl]oxyphenol
CID 175775609
2-chloro-N,N-diphenyl-3-[3-(N-phenylanilino)phenoxy]aniline
CID 118220078
2-[3-(3-hydroxy-N-(3-hydroxy-4-methylphenyl)-4-methylanilino)phenoxy]-5-methylphenol
CID 101332185
2-(3-methylbenzimidazol-5-yl)oxyphenol
CID 141009624
6-methyl-N,N-diphenylpyridin-2-amine
CID 101223687
2-[4,5-diphenoxy-6-[3-(2-phenyl-N-pyridin-2-ylanilino)phenyl]-2-pyridinyl]phenol
CID 155627613
6-N,6-N,8-N-triphenyl-8-N-[3-[[8-(N-phenylanilino)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-yl]oxy]phenyl]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-6,8-diamine
CID 166890473
2-[3-[[3-(N-pyridin-2-ylanilino)phenyl]methyl]-2H-imidazol-1-yl]phenol
CID 140679540

Frequently Asked Questions

What is the IUPAC name of 2-[3-(N-[6-(3-methyl-2H-imidazol-1-yl)-2-pyridinyl]anilino)phenoxy]phenol?
The IUPAC name of 2-[3-(N-[6-(3-methyl-2H-imidazol-1-yl)-2-pyridinyl]anilino)phenoxy]phenol (CID 140679657) is 2-[3-(N-[6-(3-methyl-2H-imidazol-1-yl)-2-pyridinyl]anilino)phenoxy]phenol.
What is the SMILES notation for 2-[3-(N-[6-(3-methyl-2H-imidazol-1-yl)-2-pyridinyl]anilino)phenoxy]phenol?
The canonical SMILES for 2-[3-(N-[6-(3-methyl-2H-imidazol-1-yl)-2-pyridinyl]anilino)phenoxy]phenol is CN1C=CN(c2cccc(N(c3ccccc3)c3cccc(Oc4ccccc4O)c3)n2)C1.
What is the InChIKey of 2-[3-(N-[6-(3-methyl-2H-imidazol-1-yl)-2-pyridinyl]anilino)phenoxy]phenol?
The InChIKey is ZBSODVYGRJOHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O2/c1-29-17-18-30(20-29)26-15-8-16-27(28-26)31(21-9-3-2-4-10-21)22-11-7-12-23(19-22)33-25-14-6-5-13-24(25)32/h2-19,32H,20H2,1H3.
What are the key properties of 2-[3-(N-[6-(3-methyl-2H-imidazol-1-yl)-2-pyridinyl]anilino)phenoxy]phenol?
2-[3-(N-[6-(3-methyl-2H-imidazol-1-yl)-2-pyridinyl]anilino)phenoxy]phenol has a molecular weight of 436.52 g/mol, XLogP of 6.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(N-[6-(3-methyl-2H-imidazol-1-yl)-2-pyridinyl]anilino)phenoxy]phenol is sourced from PubChem (CID 140679657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).