5-amino-3-cyclopropyl-4-(3-methylphenyl)-4H-imidazol-2-one

C13H15N3O — CID 79961022

IUPAC5-amino-3-cyclopropyl-4-(3-methylphenyl)-4H-imidazol-2-one
SMILESCc1cccc(C2C(N)=NC(=O)N2C2CC2)c1
InChIInChI=1S/C13H15N3O/c1-8-3-2-4-9(7-8)11-12(14)15-13(17)16(11)10-5-6-10/h2-4,7,10-11H,5-6H2,1H3,(H2,14,15,17)
InChIKeyBMWYFCXKZDJRHI-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.99
Rot. Bonds2

About 5-amino-3-cyclopropyl-4-(3-methylphenyl)-4H-imidazol-2-one

5-amino-3-cyclopropyl-4-(3-methylphenyl)-4H-imidazol-2-one (PubChem CID 79961022) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 5-amino-3-cyclopropyl-4-(3-methylphenyl)-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-3-cyclopropyl-4-(3-methylphenyl)-4H-imidazol-2-one
PubChem CID79961022
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name5-amino-3-cyclopropyl-4-(3-methylphenyl)-4H-imidazol-2-one
SMILESCc1cccc(C2C(N)=NC(=O)N2C2CC2)c1
InChIInChI=1S/C13H15N3O/c1-8-3-2-4-9(7-8)11-12(14)15-13(17)16(11)10-5-6-10/h2-4,7,10-11H,5-6H2,1H3,(H2,14,15,17)
InChIKeyBMWYFCXKZDJRHI-UHFFFAOYSA-N
XLogP1.99
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-3-cyclopropyl-4-(3,5-dimethylphenyl)-4H-imidazol-2-one
CID 79959854
5-amino-3-cyclopropyl-4-(3-fluoro-4-methylphenyl)-4H-imidazol-2-one
CID 79960849
5-amino-4-(3-methylphenyl)-3-propan-2-yl-4H-imidazol-2-one
CID 79967121
N-[4-(5-amino-3-cyclopropyl-2-oxo-4H-imidazol-4-yl)phenyl]acetamide
CID 79961931
5-amino-3-cyclopropyl-4-[4-(difluoromethoxy)phenyl]-4H-imidazol-2-one
CID 79961761
5-amino-3-cyclopropyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)-4H-imidazol-2-one
CID 79962314
3-(4-hydroxycyclohexyl)-5-methyl-2-(3-methylphenyl)imidazolidin-4-one
CID 83238574
3-cyclopropyl-2-(3-methylphenyl)-5-propylimidazolidin-4-one
CID 83242282
5-amino-4-(3-chlorophenyl)-3-(cyclopropylmethyl)-4H-imidazol-2-one
CID 79968106
3-cyclohexyl-2-(3-methylphenyl)imidazolidin-4-one
CID 83242271
5-amino-3-(cyclopropylmethyl)-4-[3-(methoxymethyl)phenyl]-4H-imidazol-2-one
CID 79979531
8-methyl-3-(3-methylphenyl)-8-azabicyclo[3.2.1]octane
CID 90754912

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-cyclopropyl-4-(3-methylphenyl)-4H-imidazol-2-one?
The IUPAC name of 5-amino-3-cyclopropyl-4-(3-methylphenyl)-4H-imidazol-2-one (CID 79961022) is 5-amino-3-cyclopropyl-4-(3-methylphenyl)-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-3-cyclopropyl-4-(3-methylphenyl)-4H-imidazol-2-one?
The canonical SMILES for 5-amino-3-cyclopropyl-4-(3-methylphenyl)-4H-imidazol-2-one is Cc1cccc(C2C(N)=NC(=O)N2C2CC2)c1.
What is the InChIKey of 5-amino-3-cyclopropyl-4-(3-methylphenyl)-4H-imidazol-2-one?
The InChIKey is BMWYFCXKZDJRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-8-3-2-4-9(7-8)11-12(14)15-13(17)16(11)10-5-6-10/h2-4,7,10-11H,5-6H2,1H3,(H2,14,15,17).
What are the key properties of 5-amino-3-cyclopropyl-4-(3-methylphenyl)-4H-imidazol-2-one?
5-amino-3-cyclopropyl-4-(3-methylphenyl)-4H-imidazol-2-one has a molecular weight of 229.28 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-cyclopropyl-4-(3-methylphenyl)-4H-imidazol-2-one is sourced from PubChem (CID 79961022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).