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

C15H19N3O3 — CID 79968318

IUPAC5-amino-3-(cyclopropylmethyl)-4-(3,5-dimethoxyphenyl)-4H-imidazol-2-one
SMILESCOc1cc(OC)cc(C2C(N)=NC(=O)N2CC2CC2)c1
InChIInChI=1S/C15H19N3O3/c1-20-11-5-10(6-12(7-11)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)
InChIKeyCNXBAUWYVUYDSI-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.95
Rot. Bonds5

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

5-amino-3-(cyclopropylmethyl)-4-(3,5-dimethoxyphenyl)-4H-imidazol-2-one (PubChem CID 79968318) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 5-amino-3-(cyclopropylmethyl)-4-(3,5-dimethoxyphenyl)-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-3-(cyclopropylmethyl)-4-(3,5-dimethoxyphenyl)-4H-imidazol-2-one
PubChem CID79968318
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name5-amino-3-(cyclopropylmethyl)-4-(3,5-dimethoxyphenyl)-4H-imidazol-2-one
SMILESCOc1cc(OC)cc(C2C(N)=NC(=O)N2CC2CC2)c1
InChIInChI=1S/C15H19N3O3/c1-20-11-5-10(6-12(7-11)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)
InChIKeyCNXBAUWYVUYDSI-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-3-(cyclopropylmethyl)-4-(2,4-dimethoxyphenyl)-4H-imidazol-2-one
CID 79971673
5-amino-3-cyclopropyl-4-(3,5-dimethoxyphenyl)-4H-imidazol-2-one
CID 79961404
5-amino-3-(cyclopropylmethyl)-4-(3-propoxyphenyl)-4H-imidazol-2-one
CID 79967643
5-amino-3-(cyclopropylmethyl)-4-[3-(methoxymethyl)phenyl]-4H-imidazol-2-one
CID 79979531
5-amino-3-(cyclopropylmethyl)-4-(4-methylsulfanylphenyl)-4H-imidazol-2-one
CID 79967171
5-amino-4-(5-bromo-3-pyridinyl)-3-(cyclopropylmethyl)-4H-imidazol-2-one
CID 113469936
5-amino-3-cyclopropyl-4-(4-methoxyphenyl)-4H-imidazol-2-one
CID 79960655
5-amino-4-(2-bromo-4-methoxyphenyl)-3-ethyl-4H-imidazol-2-one
CID 112749216
3-(cyclopropylmethoxy)-5-methoxyaniline
CID 80748394
5-amino-4-(3-methoxyphenyl)-3-propan-2-yl-4H-imidazol-2-one
CID 79967392
5-amino-3-ethyl-4-(6-methoxy-3-pyridinyl)-4H-imidazol-2-one
CID 114939050
5-amino-4-(4-methoxy-3-methylphenyl)-3-prop-2-enyl-4H-imidazol-2-one
CID 79967975

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(cyclopropylmethyl)-4-(3,5-dimethoxyphenyl)-4H-imidazol-2-one?
The IUPAC name of 5-amino-3-(cyclopropylmethyl)-4-(3,5-dimethoxyphenyl)-4H-imidazol-2-one (CID 79968318) is 5-amino-3-(cyclopropylmethyl)-4-(3,5-dimethoxyphenyl)-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-3-(cyclopropylmethyl)-4-(3,5-dimethoxyphenyl)-4H-imidazol-2-one?
The canonical SMILES for 5-amino-3-(cyclopropylmethyl)-4-(3,5-dimethoxyphenyl)-4H-imidazol-2-one is COc1cc(OC)cc(C2C(N)=NC(=O)N2CC2CC2)c1.
What is the InChIKey of 5-amino-3-(cyclopropylmethyl)-4-(3,5-dimethoxyphenyl)-4H-imidazol-2-one?
The InChIKey is CNXBAUWYVUYDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-20-11-5-10(6-12(7-11)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-(3,5-dimethoxyphenyl)-4H-imidazol-2-one?
5-amino-3-(cyclopropylmethyl)-4-(3,5-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-(3,5-dimethoxyphenyl)-4H-imidazol-2-one is sourced from PubChem (CID 79968318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).