3-[[[6-(2-methylimidazol-1-yl)-3-pyridinyl]amino]methyl]phenol

C16H16N4O — CID 43748670

IUPAC3-[[[6-(2-methylimidazol-1-yl)-3-pyridinyl]amino]methyl]phenol
SMILESCc1nccn1-c1ccc(NCc2cccc(O)c2)cn1
InChIInChI=1S/C16H16N4O/c1-12-17-7-8-20(12)16-6-5-14(11-19-16)18-10-13-3-2-4-15(21)9-13/h2-9,11,18,21H,10H2,1H3
InChIKeyGSOQYJSRZVDODH-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.89
Rot. Bonds4

About 3-[[[6-(2-methylimidazol-1-yl)-3-pyridinyl]amino]methyl]phenol

3-[[[6-(2-methylimidazol-1-yl)-3-pyridinyl]amino]methyl]phenol (PubChem CID 43748670) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-[[[6-(2-methylimidazol-1-yl)-3-pyridinyl]amino]methyl]phenol.

Molecular Properties

Compound Name3-[[[6-(2-methylimidazol-1-yl)-3-pyridinyl]amino]methyl]phenol
PubChem CID43748670
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name3-[[[6-(2-methylimidazol-1-yl)-3-pyridinyl]amino]methyl]phenol
SMILESCc1nccn1-c1ccc(NCc2cccc(O)c2)cn1
InChIInChI=1S/C16H16N4O/c1-12-17-7-8-20(12)16-6-5-14(11-19-16)18-10-13-3-2-4-15(21)9-13/h2-9,11,18,21H,10H2,1H3
InChIKeyGSOQYJSRZVDODH-UHFFFAOYSA-N
XLogP2.89
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-6-(2-methylimidazol-1-yl)pyridin-3-amine
CID 43748706
N-[(5-methylfuran-2-yl)methyl]-6-(2-methylimidazol-1-yl)pyridin-3-amine
CID 43748655
N-[(3-methylphenyl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine
CID 43689504
N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]formamide
CID 64992462
5-[(3-hydroxyphenyl)methylamino]-2-methylphenol
CID 22983329
3-[(3-hydroxyanilino)methyl]phenol
CID 21321439
3-[[(1-methylpyrazol-4-yl)amino]methyl]phenol
CID 19627574
N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-2-naphthalen-2-yloxyacetamide
CID 90565021
N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide
CID 47353927
1-(4-fluorophenyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]methanamine
CID 51086195
6-(2-methylimidazol-1-yl)-N-pentan-2-ylpyridin-3-amine
CID 43748679
3-[[4-(4-methyl-1,2,4-triazol-3-yl)anilino]methyl]phenol
CID 43686641

Frequently Asked Questions

What is the IUPAC name of 3-[[[6-(2-methylimidazol-1-yl)-3-pyridinyl]amino]methyl]phenol?
The IUPAC name of 3-[[[6-(2-methylimidazol-1-yl)-3-pyridinyl]amino]methyl]phenol (CID 43748670) is 3-[[[6-(2-methylimidazol-1-yl)-3-pyridinyl]amino]methyl]phenol.
What is the SMILES notation for 3-[[[6-(2-methylimidazol-1-yl)-3-pyridinyl]amino]methyl]phenol?
The canonical SMILES for 3-[[[6-(2-methylimidazol-1-yl)-3-pyridinyl]amino]methyl]phenol is Cc1nccn1-c1ccc(NCc2cccc(O)c2)cn1.
What is the InChIKey of 3-[[[6-(2-methylimidazol-1-yl)-3-pyridinyl]amino]methyl]phenol?
The InChIKey is GSOQYJSRZVDODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-12-17-7-8-20(12)16-6-5-14(11-19-16)18-10-13-3-2-4-15(21)9-13/h2-9,11,18,21H,10H2,1H3.
What are the key properties of 3-[[[6-(2-methylimidazol-1-yl)-3-pyridinyl]amino]methyl]phenol?
3-[[[6-(2-methylimidazol-1-yl)-3-pyridinyl]amino]methyl]phenol has a molecular weight of 280.33 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[6-(2-methylimidazol-1-yl)-3-pyridinyl]amino]methyl]phenol is sourced from PubChem (CID 43748670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).