3-(3-amino-2-methylphenyl)-1H-imidazol-2-one

C10H11N3O — CID 103124177

IUPAC3-(3-amino-2-methylphenyl)-1H-imidazol-2-one
SMILESCc1c(N)cccc1-n1cc[nH]c1=O
InChIInChI=1S/C10H11N3O/c1-7-8(11)3-2-4-9(7)13-6-5-12-10(13)14/h2-6H,11H2,1H3,(H,12,14)
InChIKeyINKBKEVCBHZHHO-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.06
Rot. Bonds1

About 3-(3-amino-2-methylphenyl)-1H-imidazol-2-one

3-(3-amino-2-methylphenyl)-1H-imidazol-2-one (PubChem CID 103124177) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 3-(3-amino-2-methylphenyl)-1H-imidazol-2-one.

Molecular Properties

Compound Name3-(3-amino-2-methylphenyl)-1H-imidazol-2-one
PubChem CID103124177
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name3-(3-amino-2-methylphenyl)-1H-imidazol-2-one
SMILESCc1c(N)cccc1-n1cc[nH]c1=O
InChIInChI=1S/C10H11N3O/c1-7-8(11)3-2-4-9(7)13-6-5-12-10(13)14/h2-6H,11H2,1H3,(H,12,14)
InChIKeyINKBKEVCBHZHHO-UHFFFAOYSA-N
XLogP1.06
TPSA63.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-2-methylphenyl)-1H-imidazol-2-one?
The IUPAC name of 3-(3-amino-2-methylphenyl)-1H-imidazol-2-one (CID 103124177) is 3-(3-amino-2-methylphenyl)-1H-imidazol-2-one.
What is the SMILES notation for 3-(3-amino-2-methylphenyl)-1H-imidazol-2-one?
The canonical SMILES for 3-(3-amino-2-methylphenyl)-1H-imidazol-2-one is Cc1c(N)cccc1-n1cc[nH]c1=O.
What is the InChIKey of 3-(3-amino-2-methylphenyl)-1H-imidazol-2-one?
The InChIKey is INKBKEVCBHZHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-7-8(11)3-2-4-9(7)13-6-5-12-10(13)14/h2-6H,11H2,1H3,(H,12,14).
What are the key properties of 3-(3-amino-2-methylphenyl)-1H-imidazol-2-one?
3-(3-amino-2-methylphenyl)-1H-imidazol-2-one has a molecular weight of 189.22 g/mol, XLogP of 1.06, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-2-methylphenyl)-1H-imidazol-2-one is sourced from PubChem (CID 103124177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).