2-[[2-(pyridin-4-ylmethyl)imidazol-1-yl]methyl]phenol

C16H15N3O — CID 82559937

IUPAC2-[[2-(pyridin-4-ylmethyl)imidazol-1-yl]methyl]phenol
SMILESOc1ccccc1Cn1ccnc1Cc1ccncc1
InChIInChI=1S/C16H15N3O/c20-15-4-2-1-3-14(15)12-19-10-9-18-16(19)11-13-5-7-17-8-6-13/h1-10,20H,11-12H2
InChIKeyKZIFGKGAVQUHIC-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.62
Rot. Bonds4

About 2-[[2-(pyridin-4-ylmethyl)imidazol-1-yl]methyl]phenol

2-[[2-(pyridin-4-ylmethyl)imidazol-1-yl]methyl]phenol (PubChem CID 82559937) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-[[2-(pyridin-4-ylmethyl)imidazol-1-yl]methyl]phenol.

Molecular Properties

Compound Name2-[[2-(pyridin-4-ylmethyl)imidazol-1-yl]methyl]phenol
PubChem CID82559937
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name2-[[2-(pyridin-4-ylmethyl)imidazol-1-yl]methyl]phenol
SMILESOc1ccccc1Cn1ccnc1Cc1ccncc1
InChIInChI=1S/C16H15N3O/c20-15-4-2-1-3-14(15)12-19-10-9-18-16(19)11-13-5-7-17-8-6-13/h1-10,20H,11-12H2
InChIKeyKZIFGKGAVQUHIC-UHFFFAOYSA-N
XLogP2.62
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[[2-[(4-nitrophenyl)methyl]imidazol-1-yl]methyl]phenol
CID 82560037
2-[[2-[(1-methylimidazol-2-yl)methyl]imidazol-1-yl]methyl]phenol
CID 82560146
[4-[[2-(pyridin-4-ylmethyl)imidazol-1-yl]methyl]phenyl]methanamine
CID 82557868
3-[[2-(pyridin-4-ylmethyl)imidazol-1-yl]methyl]benzoic acid
CID 82559941
2-[[2-[(4-aminophenyl)methyl]imidazol-1-yl]methyl]benzenecarbothioamide
CID 82558661
3-[2-(pyridin-4-ylmethyl)imidazol-1-yl]propanoic acid
CID 82559935
3-[[2-(pyridin-4-ylmethyl)imidazol-1-yl]methyl]benzonitrile
CID 82561391
2-[[2-[[4-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]methyl]benzonitrile
CID 82561546
2-[[2-[(4-methoxyphenyl)methyl]imidazol-1-yl]methyl]aniline
CID 82557938
2-[[2-[(4-methoxyphenyl)methyl]imidazol-1-yl]methyl]benzoic acid
CID 82559982
2-[[2-[[4-(dimethylamino)phenyl]methyl]imidazol-1-yl]methyl]benzoic acid
CID 82560231
methyl 2-[[2-[(4-fluorophenyl)methyl]imidazol-1-yl]methyl]benzoate
CID 82560948

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(pyridin-4-ylmethyl)imidazol-1-yl]methyl]phenol?
The IUPAC name of 2-[[2-(pyridin-4-ylmethyl)imidazol-1-yl]methyl]phenol (CID 82559937) is 2-[[2-(pyridin-4-ylmethyl)imidazol-1-yl]methyl]phenol.
What is the SMILES notation for 2-[[2-(pyridin-4-ylmethyl)imidazol-1-yl]methyl]phenol?
The canonical SMILES for 2-[[2-(pyridin-4-ylmethyl)imidazol-1-yl]methyl]phenol is Oc1ccccc1Cn1ccnc1Cc1ccncc1.
What is the InChIKey of 2-[[2-(pyridin-4-ylmethyl)imidazol-1-yl]methyl]phenol?
The InChIKey is KZIFGKGAVQUHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c20-15-4-2-1-3-14(15)12-19-10-9-18-16(19)11-13-5-7-17-8-6-13/h1-10,20H,11-12H2.
What are the key properties of 2-[[2-(pyridin-4-ylmethyl)imidazol-1-yl]methyl]phenol?
2-[[2-(pyridin-4-ylmethyl)imidazol-1-yl]methyl]phenol has a molecular weight of 265.32 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(pyridin-4-ylmethyl)imidazol-1-yl]methyl]phenol is sourced from PubChem (CID 82559937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).