4-[[5-(2-amino-4-pyridinyl)imidazol-1-yl]methyl]phenol

C15H14N4O — CID 114722613

IUPAC4-[[5-(2-amino-4-pyridinyl)imidazol-1-yl]methyl]phenol
SMILESNc1cc(-c2cncn2Cc2ccc(O)cc2)ccn1
InChIInChI=1S/C15H14N4O/c16-15-7-12(5-6-18-15)14-8-17-10-19(14)9-11-1-3-13(20)4-2-11/h1-8,10,20H,9H2,(H2,16,18)
InChIKeyTVCYMXSPRAXWTD-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.28
Rot. Bonds3

About 4-[[5-(2-amino-4-pyridinyl)imidazol-1-yl]methyl]phenol

4-[[5-(2-amino-4-pyridinyl)imidazol-1-yl]methyl]phenol (PubChem CID 114722613) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-[[5-(2-amino-4-pyridinyl)imidazol-1-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[5-(2-amino-4-pyridinyl)imidazol-1-yl]methyl]phenol
PubChem CID114722613
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name4-[[5-(2-amino-4-pyridinyl)imidazol-1-yl]methyl]phenol
SMILESNc1cc(-c2cncn2Cc2ccc(O)cc2)ccn1
InChIInChI=1S/C15H14N4O/c16-15-7-12(5-6-18-15)14-8-17-10-19(14)9-11-1-3-13(20)4-2-11/h1-8,10,20H,9H2,(H2,16,18)
InChIKeyTVCYMXSPRAXWTD-UHFFFAOYSA-N
XLogP2.28
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-[(6-methyl-3-pyridinyl)methyl]imidazol-4-yl]pyridin-2-amine
CID 114720279
4-[3-(3-methylbut-2-enyl)imidazol-4-yl]pyridin-2-amine
CID 106194333
4-[3-[(4,5-dimethylthiophen-2-yl)methyl]imidazol-4-yl]pyridin-2-amine
CID 114720701
4-[3-[(1,5-dimethylpyrazol-4-yl)methyl]imidazol-4-yl]pyridin-2-amine
CID 106040949
4-(3-pentylimidazol-4-yl)pyridin-2-amine
CID 114716246
4-[3-(2-methylbutyl)imidazol-4-yl]pyridin-2-amine
CID 114719950
4-[3-(cyclobutylmethyl)imidazol-4-yl]pyridin-2-amine
CID 114715991
4-[3-(2-cyclobutylethyl)imidazol-4-yl]pyridin-2-amine
CID 114722232
4-[3-(2,3,3-trimethylbutyl)imidazol-4-yl]pyridin-2-amine
CID 114721670
3-[5-(2-amino-4-pyridinyl)imidazol-1-yl]-N,N-dimethylpropanamide
CID 114718794
ethyl 3-[5-(2-amino-4-pyridinyl)imidazol-1-yl]propanoate
CID 114719027
2-[5-(2-amino-4-pyridinyl)imidazol-1-yl]-N-cyclopropylacetamide
CID 114718057

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(2-amino-4-pyridinyl)imidazol-1-yl]methyl]phenol?
The IUPAC name of 4-[[5-(2-amino-4-pyridinyl)imidazol-1-yl]methyl]phenol (CID 114722613) is 4-[[5-(2-amino-4-pyridinyl)imidazol-1-yl]methyl]phenol.
What is the SMILES notation for 4-[[5-(2-amino-4-pyridinyl)imidazol-1-yl]methyl]phenol?
The canonical SMILES for 4-[[5-(2-amino-4-pyridinyl)imidazol-1-yl]methyl]phenol is Nc1cc(-c2cncn2Cc2ccc(O)cc2)ccn1.
What is the InChIKey of 4-[[5-(2-amino-4-pyridinyl)imidazol-1-yl]methyl]phenol?
The InChIKey is TVCYMXSPRAXWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c16-15-7-12(5-6-18-15)14-8-17-10-19(14)9-11-1-3-13(20)4-2-11/h1-8,10,20H,9H2,(H2,16,18).
What are the key properties of 4-[[5-(2-amino-4-pyridinyl)imidazol-1-yl]methyl]phenol?
4-[[5-(2-amino-4-pyridinyl)imidazol-1-yl]methyl]phenol has a molecular weight of 266.30 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(2-amino-4-pyridinyl)imidazol-1-yl]methyl]phenol is sourced from PubChem (CID 114722613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).