5-amino-3-(cyclopropylmethyl)-4-(2,4-dimethoxyphenyl)-4H-imidazol-2-one

C15H19N3O3 — CID 79971673

IUPAC5-amino-3-(cyclopropylmethyl)-4-(2,4-dimethoxyphenyl)-4H-imidazol-2-one
SMILESCOc1ccc(C2C(N)=NC(=O)N2CC2CC2)c(OC)c1
InChIInChI=1S/C15H19N3O3/c1-20-10-5-6-11(12(7-10)21-2)13-14(16)17-15(19)18(13)8-9-3-4-9/h5-7,9,13H,3-4,8H2,1-2H3,(H2,16,17,19)
InChIKeyOXYPVSQFHFKAED-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.95
Rot. Bonds5

About 5-amino-3-(cyclopropylmethyl)-4-(2,4-dimethoxyphenyl)-4H-imidazol-2-one

5-amino-3-(cyclopropylmethyl)-4-(2,4-dimethoxyphenyl)-4H-imidazol-2-one (PubChem CID 79971673) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 5-amino-3-(cyclopropylmethyl)-4-(2,4-dimethoxyphenyl)-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-3-(cyclopropylmethyl)-4-(2,4-dimethoxyphenyl)-4H-imidazol-2-one
PubChem CID79971673
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name5-amino-3-(cyclopropylmethyl)-4-(2,4-dimethoxyphenyl)-4H-imidazol-2-one
SMILESCOc1ccc(C2C(N)=NC(=O)N2CC2CC2)c(OC)c1
InChIInChI=1S/C15H19N3O3/c1-20-10-5-6-11(12(7-10)21-2)13-14(16)17-15(19)18(13)8-9-3-4-9/h5-7,9,13H,3-4,8H2,1-2H3,(H2,16,17,19)
InChIKeyOXYPVSQFHFKAED-UHFFFAOYSA-N
XLogP1.95
TPSA77.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-4-(2,4-dimethoxyphenyl)-3-(2-methylpropyl)-4H-imidazol-2-one
CID 79959429
5-amino-3-cyclopropyl-4-(2,4-dimethoxyphenyl)-4H-imidazol-2-one
CID 79961193
5-amino-3-(cyclopropylmethyl)-4-(3,5-dimethoxyphenyl)-4H-imidazol-2-one
CID 79968318
5-amino-4-(2-bromo-4-methoxyphenyl)-3-ethyl-4H-imidazol-2-one
CID 112749216
5-amino-3-ethyl-4-(2-methoxyphenyl)-4H-imidazol-2-one
CID 79967269
1-(cyclopropylmethyl)-5-(2,5-dimethoxyphenyl)-4,5-dihydroimidazol-2-amine
CID 79521769
5-amino-3-(cyclopropylmethyl)-4-(4-methylsulfanylphenyl)-4H-imidazol-2-one
CID 79967171
5-amino-4-(2,5-dimethoxyphenyl)-3-propan-2-yl-4H-imidazol-2-one
CID 79967027
4-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]cyclohexan-1-one
CID 124886513
5-amino-4-(5-bromo-3-pyridinyl)-3-(cyclopropylmethyl)-4H-imidazol-2-one
CID 113469936
5-amino-3-but-3-yn-2-yl-4-(2,5-dimethoxyphenyl)-4H-imidazol-2-one
CID 114420980
5-amino-3-cyclopropyl-4-(4-methoxyphenyl)-4H-imidazol-2-one
CID 79960655

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(cyclopropylmethyl)-4-(2,4-dimethoxyphenyl)-4H-imidazol-2-one?
The IUPAC name of 5-amino-3-(cyclopropylmethyl)-4-(2,4-dimethoxyphenyl)-4H-imidazol-2-one (CID 79971673) is 5-amino-3-(cyclopropylmethyl)-4-(2,4-dimethoxyphenyl)-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-3-(cyclopropylmethyl)-4-(2,4-dimethoxyphenyl)-4H-imidazol-2-one?
The canonical SMILES for 5-amino-3-(cyclopropylmethyl)-4-(2,4-dimethoxyphenyl)-4H-imidazol-2-one is COc1ccc(C2C(N)=NC(=O)N2CC2CC2)c(OC)c1.
What is the InChIKey of 5-amino-3-(cyclopropylmethyl)-4-(2,4-dimethoxyphenyl)-4H-imidazol-2-one?
The InChIKey is OXYPVSQFHFKAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-20-10-5-6-11(12(7-10)21-2)13-14(16)17-15(19)18(13)8-9-3-4-9/h5-7,9,13H,3-4,8H2,1-2H3,(H2,16,17,19).
What are the key properties of 5-amino-3-(cyclopropylmethyl)-4-(2,4-dimethoxyphenyl)-4H-imidazol-2-one?
5-amino-3-(cyclopropylmethyl)-4-(2,4-dimethoxyphenyl)-4H-imidazol-2-one has a molecular weight of 289.34 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(cyclopropylmethyl)-4-(2,4-dimethoxyphenyl)-4H-imidazol-2-one is sourced from PubChem (CID 79971673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).