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

C10H11N3O — CID 63089666

IUPAC3-[4-(methylamino)phenyl]-1H-imidazol-2-one
SMILESCNc1ccc(-n2cc[nH]c2=O)cc1
InChIInChI=1S/C10H11N3O/c1-11-8-2-4-9(5-3-8)13-7-6-12-10(13)14/h2-7,11H,1H3,(H,12,14)
InChIKeyAVNQFIWZCVXRKJ-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.21
Rot. Bonds2

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

3-[4-(methylamino)phenyl]-1H-imidazol-2-one (PubChem CID 63089666) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 3-[4-(methylamino)phenyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[4-(methylamino)phenyl]-1H-imidazol-2-one
PubChem CID63089666
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name3-[4-(methylamino)phenyl]-1H-imidazol-2-one
SMILESCNc1ccc(-n2cc[nH]c2=O)cc1
InChIInChI=1S/C10H11N3O/c1-11-8-2-4-9(5-3-8)13-7-6-12-10(13)14/h2-7,11H,1H3,(H,12,14)
InChIKeyAVNQFIWZCVXRKJ-UHFFFAOYSA-N
XLogP1.21
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(methylamino)phenyl]-1H-imidazol-2-one?
The IUPAC name of 3-[4-(methylamino)phenyl]-1H-imidazol-2-one (CID 63089666) is 3-[4-(methylamino)phenyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-[4-(methylamino)phenyl]-1H-imidazol-2-one?
The canonical SMILES for 3-[4-(methylamino)phenyl]-1H-imidazol-2-one is CNc1ccc(-n2cc[nH]c2=O)cc1.
What is the InChIKey of 3-[4-(methylamino)phenyl]-1H-imidazol-2-one?
The InChIKey is AVNQFIWZCVXRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-11-8-2-4-9(5-3-8)13-7-6-12-10(13)14/h2-7,11H,1H3,(H,12,14).
What are the key properties of 3-[4-(methylamino)phenyl]-1H-imidazol-2-one?
3-[4-(methylamino)phenyl]-1H-imidazol-2-one has a molecular weight of 189.22 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(methylamino)phenyl]-1H-imidazol-2-one is sourced from PubChem (CID 63089666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).