4-[(2-amino-1-methylimidazol-4-yl)methyl]phenol

C11H13N3O — CID 10352841

IUPAC4-[(2-amino-1-methylimidazol-4-yl)methyl]phenol
SMILESCn1cc(Cc2ccc(O)cc2)nc1N
InChIInChI=1S/C11H13N3O/c1-14-7-9(13-11(14)12)6-8-2-4-10(15)5-3-8/h2-5,7,15H,6H2,1H3,(H2,12,13)
InChIKeyNRRKMYJRZNLJOP-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.30
Rot. Bonds2

About 4-[(2-amino-1-methylimidazol-4-yl)methyl]phenol

4-[(2-amino-1-methylimidazol-4-yl)methyl]phenol (PubChem CID 10352841) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 4-[(2-amino-1-methylimidazol-4-yl)methyl]phenol.

Molecular Properties

Compound Name4-[(2-amino-1-methylimidazol-4-yl)methyl]phenol
PubChem CID10352841
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name4-[(2-amino-1-methylimidazol-4-yl)methyl]phenol
SMILESCn1cc(Cc2ccc(O)cc2)nc1N
InChIInChI=1S/C11H13N3O/c1-14-7-9(13-11(14)12)6-8-2-4-10(15)5-3-8/h2-5,7,15H,6H2,1H3,(H2,12,13)
InChIKeyNRRKMYJRZNLJOP-UHFFFAOYSA-N
XLogP1.30
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 129137293
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Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-1-methylimidazol-4-yl)methyl]phenol?
The IUPAC name of 4-[(2-amino-1-methylimidazol-4-yl)methyl]phenol (CID 10352841) is 4-[(2-amino-1-methylimidazol-4-yl)methyl]phenol.
What is the SMILES notation for 4-[(2-amino-1-methylimidazol-4-yl)methyl]phenol?
The canonical SMILES for 4-[(2-amino-1-methylimidazol-4-yl)methyl]phenol is Cn1cc(Cc2ccc(O)cc2)nc1N.
What is the InChIKey of 4-[(2-amino-1-methylimidazol-4-yl)methyl]phenol?
The InChIKey is NRRKMYJRZNLJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-14-7-9(13-11(14)12)6-8-2-4-10(15)5-3-8/h2-5,7,15H,6H2,1H3,(H2,12,13).
What are the key properties of 4-[(2-amino-1-methylimidazol-4-yl)methyl]phenol?
4-[(2-amino-1-methylimidazol-4-yl)methyl]phenol has a molecular weight of 203.25 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-1-methylimidazol-4-yl)methyl]phenol is sourced from PubChem (CID 10352841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).