4-[5-(6-amino-3-pyridinyl)imidazol-1-yl]-3-methylphenol

C15H14N4O — CID 114720896

IUPAC4-[5-(6-amino-3-pyridinyl)imidazol-1-yl]-3-methylphenol
SMILESCc1cc(O)ccc1-n1cncc1-c1ccc(N)nc1
InChIInChI=1S/C15H14N4O/c1-10-6-12(20)3-4-13(10)19-9-17-8-14(19)11-2-5-15(16)18-7-11/h2-9,20H,1H3,(H2,16,18)
InChIKeyOBEZYNKEMWQMES-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.53
Rot. Bonds2

About 4-[5-(6-amino-3-pyridinyl)imidazol-1-yl]-3-methylphenol

4-[5-(6-amino-3-pyridinyl)imidazol-1-yl]-3-methylphenol (PubChem CID 114720896) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-[5-(6-amino-3-pyridinyl)imidazol-1-yl]-3-methylphenol.

Molecular Properties

Compound Name4-[5-(6-amino-3-pyridinyl)imidazol-1-yl]-3-methylphenol
PubChem CID114720896
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name4-[5-(6-amino-3-pyridinyl)imidazol-1-yl]-3-methylphenol
SMILESCc1cc(O)ccc1-n1cncc1-c1ccc(N)nc1
InChIInChI=1S/C15H14N4O/c1-10-6-12(20)3-4-13(10)19-9-17-8-14(19)11-2-5-15(16)18-7-11/h2-9,20H,1H3,(H2,16,18)
InChIKeyOBEZYNKEMWQMES-UHFFFAOYSA-N
XLogP2.53
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-(4-bromo-2,5-difluorophenyl)imidazol-4-yl]pyridin-2-amine
CID 107608575
4-[5-[(1S)-1-aminoethyl]imidazol-1-yl]-3-methylphenol
CID 104943282
3-[3-(4-fluoro-2-methylphenyl)imidazol-4-yl]pyridin-4-amine
CID 114716848
3-methyl-4-(2-methylimidazol-1-yl)phenol
CID 65313636
3-(6-amino-3-pyridinyl)-4-chlorophenol
CID 56777458
5-[3-(2-methylcyclopropyl)imidazol-4-yl]pyridin-2-amine
CID 114720108
3-methyl-4-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]phenol
CID 114720897
4-[3-(2-methyl-3-pyridinyl)imidazol-4-yl]pyridin-2-amine
CID 114721081
5-[3-(2-methylsulfanylethyl)imidazol-4-yl]pyridin-2-amine
CID 114720404
5-(3-octylimidazol-4-yl)pyridin-2-amine
CID 114721585
3-methyl-4-(5-morpholin-2-ylimidazol-1-yl)phenol
CID 114720892
5-[3-(4,4,4-trifluorobutyl)imidazol-4-yl]pyridin-2-amine
CID 114721619

Frequently Asked Questions

What is the IUPAC name of 4-[5-(6-amino-3-pyridinyl)imidazol-1-yl]-3-methylphenol?
The IUPAC name of 4-[5-(6-amino-3-pyridinyl)imidazol-1-yl]-3-methylphenol (CID 114720896) is 4-[5-(6-amino-3-pyridinyl)imidazol-1-yl]-3-methylphenol.
What is the SMILES notation for 4-[5-(6-amino-3-pyridinyl)imidazol-1-yl]-3-methylphenol?
The canonical SMILES for 4-[5-(6-amino-3-pyridinyl)imidazol-1-yl]-3-methylphenol is Cc1cc(O)ccc1-n1cncc1-c1ccc(N)nc1.
What is the InChIKey of 4-[5-(6-amino-3-pyridinyl)imidazol-1-yl]-3-methylphenol?
The InChIKey is OBEZYNKEMWQMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-10-6-12(20)3-4-13(10)19-9-17-8-14(19)11-2-5-15(16)18-7-11/h2-9,20H,1H3,(H2,16,18).
What are the key properties of 4-[5-(6-amino-3-pyridinyl)imidazol-1-yl]-3-methylphenol?
4-[5-(6-amino-3-pyridinyl)imidazol-1-yl]-3-methylphenol has a molecular weight of 266.30 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(6-amino-3-pyridinyl)imidazol-1-yl]-3-methylphenol is sourced from PubChem (CID 114720896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).