4-amino-5-(2-methylphenyl)-1,5-dihydroimidazol-2-one

C10H11N3O — CID 79960820

IUPAC4-amino-5-(2-methylphenyl)-1,5-dihydroimidazol-2-one
SMILESCc1ccccc1C1NC(=O)N=C1N
InChIInChI=1S/C10H11N3O/c1-6-4-2-3-5-7(6)8-9(11)13-10(14)12-8/h2-5,8H,1H3,(H3,11,12,13,14)
InChIKeyDIUYYMONZJSAKP-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.12
Rot. Bonds1

About 4-amino-5-(2-methylphenyl)-1,5-dihydroimidazol-2-one

4-amino-5-(2-methylphenyl)-1,5-dihydroimidazol-2-one (PubChem CID 79960820) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 4-amino-5-(2-methylphenyl)-1,5-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-amino-5-(2-methylphenyl)-1,5-dihydroimidazol-2-one
PubChem CID79960820
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name4-amino-5-(2-methylphenyl)-1,5-dihydroimidazol-2-one
SMILESCc1ccccc1C1NC(=O)N=C1N
InChIInChI=1S/C10H11N3O/c1-6-4-2-3-5-7(6)8-9(11)13-10(14)12-8/h2-5,8H,1H3,(H3,11,12,13,14)
InChIKeyDIUYYMONZJSAKP-UHFFFAOYSA-N
XLogP1.12
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(2-methylphenyl)-1,5-dihydroimidazol-2-one?
The IUPAC name of 4-amino-5-(2-methylphenyl)-1,5-dihydroimidazol-2-one (CID 79960820) is 4-amino-5-(2-methylphenyl)-1,5-dihydroimidazol-2-one.
What is the SMILES notation for 4-amino-5-(2-methylphenyl)-1,5-dihydroimidazol-2-one?
The canonical SMILES for 4-amino-5-(2-methylphenyl)-1,5-dihydroimidazol-2-one is Cc1ccccc1C1NC(=O)N=C1N.
What is the InChIKey of 4-amino-5-(2-methylphenyl)-1,5-dihydroimidazol-2-one?
The InChIKey is DIUYYMONZJSAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-6-4-2-3-5-7(6)8-9(11)13-10(14)12-8/h2-5,8H,1H3,(H3,11,12,13,14).
What are the key properties of 4-amino-5-(2-methylphenyl)-1,5-dihydroimidazol-2-one?
4-amino-5-(2-methylphenyl)-1,5-dihydroimidazol-2-one has a molecular weight of 189.22 g/mol, XLogP of 1.12, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(2-methylphenyl)-1,5-dihydroimidazol-2-one is sourced from PubChem (CID 79960820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).