2-[3-[[3-(N-pyridin-2-ylanilino)phenyl]methyl]-2H-imidazol-1-yl]phenol

C27H24N4O — CID 140679540

IUPAC2-[3-[[3-(N-pyridin-2-ylanilino)phenyl]methyl]-2H-imidazol-1-yl]phenol
SMILESOc1ccccc1N1C=CN(Cc2cccc(N(c3ccccc3)c3ccccn3)c2)C1
InChIInChI=1S/C27H24N4O/c32-26-14-5-4-13-25(26)30-18-17-29(21-30)20-22-9-8-12-24(19-22)31(23-10-2-1-3-11-23)27-15-6-7-16-28-27/h1-19,32H,20-21H2
InChIKeyPGPIDZAZUJHPSY-UHFFFAOYSA-N
MW420.52 g/mol
LogP6.01
Rot. Bonds6

About 2-[3-[[3-(N-pyridin-2-ylanilino)phenyl]methyl]-2H-imidazol-1-yl]phenol

2-[3-[[3-(N-pyridin-2-ylanilino)phenyl]methyl]-2H-imidazol-1-yl]phenol (PubChem CID 140679540) has the molecular formula C27H24N4O and a molecular weight of 420.52 g/mol. Its IUPAC name is 2-[3-[[3-(N-pyridin-2-ylanilino)phenyl]methyl]-2H-imidazol-1-yl]phenol.

Molecular Properties

Compound Name2-[3-[[3-(N-pyridin-2-ylanilino)phenyl]methyl]-2H-imidazol-1-yl]phenol
PubChem CID140679540
Molecular FormulaC27H24N4O
Molecular Weight420.52 g/mol
Exact Mass420.20
IUPAC Name2-[3-[[3-(N-pyridin-2-ylanilino)phenyl]methyl]-2H-imidazol-1-yl]phenol
SMILESOc1ccccc1N1C=CN(Cc2cccc(N(c3ccccc3)c3ccccn3)c2)C1
InChIInChI=1S/C27H24N4O/c32-26-14-5-4-13-25(26)30-18-17-29(21-30)20-22-9-8-12-24(19-22)31(23-10-2-1-3-11-23)27-15-6-7-16-28-27/h1-19,32H,20-21H2
InChIKeyPGPIDZAZUJHPSY-UHFFFAOYSA-N
XLogP6.01
TPSA42.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.52
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-benzyl-2-[6-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum
CID 164742055
2-[6-[3-[4-(1-phenylethyl)-N-pyridin-2-ylanilino]phenyl]-2-pyridinyl]phenol
CID 164742080
2-[4-(N-phenylanilino)-6-[3-(3-phenyl-N-pyridin-2-ylanilino)phenyl]-2-pyridinyl]phenol
CID 155627571
N-[3-[4-(3-methyl-2H-imidazol-1-yl)dibenzothiophen-2-yl]oxyphenyl]-N-phenylpyridin-2-amine
CID 153432016
N,N-diphenyl-6-[3-(N-pyridin-2-ylanilino)phenyl]pyridin-2-amine
CID 23135801
6-[diphenyl-[3-(N-pyridin-2-ylanilino)phenyl]silyl]-N,N-diphenylpyridin-2-amine
CID 140743228
N-[3-[2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-phenylphenyl]propan-2-yl]phenyl]-N-phenylpyridin-2-amine
CID 155651452
2,4-ditert-butyl-6-[5-phenyl-6-[3-(N-pyridin-2-ylanilino)phenyl]-2-pyridinyl]phenol
CID 153304170
ethane;N-(3-fluoranthen-8-ylphenyl)-N-phenylpyridin-2-amine
CID 144605066
2-[6-[3-(2,6-dimethyl-N-pyridin-2-ylanilino)phenyl]-4-phenyl-2-pyridinyl]phenol
CID 153304154
4-(N-pyridin-2-ylanilino)benzamide
CID 123830429
8,8,14,14-tetramethyl-N,N-dipyridin-2-yl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine
CID 70885685

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[3-(N-pyridin-2-ylanilino)phenyl]methyl]-2H-imidazol-1-yl]phenol?
The IUPAC name of 2-[3-[[3-(N-pyridin-2-ylanilino)phenyl]methyl]-2H-imidazol-1-yl]phenol (CID 140679540) is 2-[3-[[3-(N-pyridin-2-ylanilino)phenyl]methyl]-2H-imidazol-1-yl]phenol.
What is the SMILES notation for 2-[3-[[3-(N-pyridin-2-ylanilino)phenyl]methyl]-2H-imidazol-1-yl]phenol?
The canonical SMILES for 2-[3-[[3-(N-pyridin-2-ylanilino)phenyl]methyl]-2H-imidazol-1-yl]phenol is Oc1ccccc1N1C=CN(Cc2cccc(N(c3ccccc3)c3ccccn3)c2)C1.
What is the InChIKey of 2-[3-[[3-(N-pyridin-2-ylanilino)phenyl]methyl]-2H-imidazol-1-yl]phenol?
The InChIKey is PGPIDZAZUJHPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O/c32-26-14-5-4-13-25(26)30-18-17-29(21-30)20-22-9-8-12-24(19-22)31(23-10-2-1-3-11-23)27-15-6-7-16-28-27/h1-19,32H,20-21H2.
What are the key properties of 2-[3-[[3-(N-pyridin-2-ylanilino)phenyl]methyl]-2H-imidazol-1-yl]phenol?
2-[3-[[3-(N-pyridin-2-ylanilino)phenyl]methyl]-2H-imidazol-1-yl]phenol has a molecular weight of 420.52 g/mol, XLogP of 6.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[3-(N-pyridin-2-ylanilino)phenyl]methyl]-2H-imidazol-1-yl]phenol is sourced from PubChem (CID 140679540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).