3-[[4-(aminomethyl)phenyl]methyl]-1H-imidazol-2-one

C11H13N3O — CID 67631448

IUPAC3-[[4-(aminomethyl)phenyl]methyl]-1H-imidazol-2-one
SMILESNCc1ccc(Cn2cc[nH]c2=O)cc1
InChIInChI=1S/C11H13N3O/c12-7-9-1-3-10(4-2-9)8-14-6-5-13-11(14)15/h1-6H,7-8,12H2,(H,13,15)
InChIKeyISDVSOAKVUEZTL-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.68
Rot. Bonds3

About 3-[[4-(aminomethyl)phenyl]methyl]-1H-imidazol-2-one

3-[[4-(aminomethyl)phenyl]methyl]-1H-imidazol-2-one (PubChem CID 67631448) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 3-[[4-(aminomethyl)phenyl]methyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[[4-(aminomethyl)phenyl]methyl]-1H-imidazol-2-one
PubChem CID67631448
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name3-[[4-(aminomethyl)phenyl]methyl]-1H-imidazol-2-one
SMILESNCc1ccc(Cn2cc[nH]c2=O)cc1
InChIInChI=1S/C11H13N3O/c12-7-9-1-3-10(4-2-9)8-14-6-5-13-11(14)15/h1-6H,7-8,12H2,(H,13,15)
InChIKeyISDVSOAKVUEZTL-UHFFFAOYSA-N
XLogP0.68
TPSA63.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(aminomethyl)phenyl]methyl]-1H-imidazol-2-one?
The IUPAC name of 3-[[4-(aminomethyl)phenyl]methyl]-1H-imidazol-2-one (CID 67631448) is 3-[[4-(aminomethyl)phenyl]methyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-[[4-(aminomethyl)phenyl]methyl]-1H-imidazol-2-one?
The canonical SMILES for 3-[[4-(aminomethyl)phenyl]methyl]-1H-imidazol-2-one is NCc1ccc(Cn2cc[nH]c2=O)cc1.
What is the InChIKey of 3-[[4-(aminomethyl)phenyl]methyl]-1H-imidazol-2-one?
The InChIKey is ISDVSOAKVUEZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c12-7-9-1-3-10(4-2-9)8-14-6-5-13-11(14)15/h1-6H,7-8,12H2,(H,13,15).
What are the key properties of 3-[[4-(aminomethyl)phenyl]methyl]-1H-imidazol-2-one?
3-[[4-(aminomethyl)phenyl]methyl]-1H-imidazol-2-one has a molecular weight of 203.24 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(aminomethyl)phenyl]methyl]-1H-imidazol-2-one is sourced from PubChem (CID 67631448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).