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

C13H15N3O2 — CID 79960655

IUPAC5-amino-3-cyclopropyl-4-(4-methoxyphenyl)-4H-imidazol-2-one
SMILESCOc1ccc(C2C(N)=NC(=O)N2C2CC2)cc1
InChIInChI=1S/C13H15N3O2/c1-18-10-6-2-8(3-7-10)11-12(14)15-13(17)16(11)9-4-5-9/h2-3,6-7,9,11H,4-5H2,1H3,(H2,14,15,17)
InChIKeyYIXVOWHDQXNHNV-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.69
Rot. Bonds3

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

5-amino-3-cyclopropyl-4-(4-methoxyphenyl)-4H-imidazol-2-one (PubChem CID 79960655) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 5-amino-3-cyclopropyl-4-(4-methoxyphenyl)-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-3-cyclopropyl-4-(4-methoxyphenyl)-4H-imidazol-2-one
PubChem CID79960655
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name5-amino-3-cyclopropyl-4-(4-methoxyphenyl)-4H-imidazol-2-one
SMILESCOc1ccc(C2C(N)=NC(=O)N2C2CC2)cc1
InChIInChI=1S/C13H15N3O2/c1-18-10-6-2-8(3-7-10)11-12(14)15-13(17)16(11)9-4-5-9/h2-3,6-7,9,11H,4-5H2,1H3,(H2,14,15,17)
InChIKeyYIXVOWHDQXNHNV-UHFFFAOYSA-N
XLogP1.69
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-3-cyclopropyl-4-(3,5-dimethoxyphenyl)-4H-imidazol-2-one
CID 79961404
5-amino-3-cyclopropyl-4-[4-(difluoromethoxy)phenyl]-4H-imidazol-2-one
CID 79961761
5-amino-3-cyclopropyl-4-(2,4-dimethoxyphenyl)-4H-imidazol-2-one
CID 79961193
N-[4-(5-amino-3-cyclopropyl-2-oxo-4H-imidazol-4-yl)phenyl]acetamide
CID 79961931
5-amino-3-cyclopropyl-4-(3-methylphenyl)-4H-imidazol-2-one
CID 79961022
5-amino-4-(4-ethoxyphenyl)-3-methyl-4H-imidazol-2-one
CID 79959516
1-cycloheptyl-4-cyclohexyl-3-(4-methoxyphenyl)piperazine-2,5-dione
CID 3401054
5-amino-3-(cyclopropylmethyl)-4-(3,5-dimethoxyphenyl)-4H-imidazol-2-one
CID 79968318
5-amino-3-cyclopropyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)-4H-imidazol-2-one
CID 79962314
5-amino-3-propan-2-yl-4-(4-propan-2-yloxyphenyl)-4H-imidazol-2-one
CID 79967942
5-amino-3-(cyclopropylmethyl)-4-(2,4-dimethoxyphenyl)-4H-imidazol-2-one
CID 79971673
(3R,6R,9aR)-3-iodo-6-(4-methoxyphenyl)-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one
CID 142695696

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-cyclopropyl-4-(4-methoxyphenyl)-4H-imidazol-2-one?
The IUPAC name of 5-amino-3-cyclopropyl-4-(4-methoxyphenyl)-4H-imidazol-2-one (CID 79960655) is 5-amino-3-cyclopropyl-4-(4-methoxyphenyl)-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-3-cyclopropyl-4-(4-methoxyphenyl)-4H-imidazol-2-one?
The canonical SMILES for 5-amino-3-cyclopropyl-4-(4-methoxyphenyl)-4H-imidazol-2-one is COc1ccc(C2C(N)=NC(=O)N2C2CC2)cc1.
What is the InChIKey of 5-amino-3-cyclopropyl-4-(4-methoxyphenyl)-4H-imidazol-2-one?
The InChIKey is YIXVOWHDQXNHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-18-10-6-2-8(3-7-10)11-12(14)15-13(17)16(11)9-4-5-9/h2-3,6-7,9,11H,4-5H2,1H3,(H2,14,15,17).
What are the key properties of 5-amino-3-cyclopropyl-4-(4-methoxyphenyl)-4H-imidazol-2-one?
5-amino-3-cyclopropyl-4-(4-methoxyphenyl)-4H-imidazol-2-one has a molecular weight of 245.28 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-cyclopropyl-4-(4-methoxyphenyl)-4H-imidazol-2-one is sourced from PubChem (CID 79960655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).