5-amino-3-(cyclopropylmethyl)-4-[3-(methoxymethyl)phenyl]-4H-imidazol-2-one

C15H19N3O2 — CID 79979531

IUPAC5-amino-3-(cyclopropylmethyl)-4-[3-(methoxymethyl)phenyl]-4H-imidazol-2-one
SMILESCOCc1cccc(C2C(N)=NC(=O)N2CC2CC2)c1
InChIInChI=1S/C15H19N3O2/c1-20-9-11-3-2-4-12(7-11)13-14(16)17-15(19)18(13)8-10-5-6-10/h2-4,7,10,13H,5-6,8-9H2,1H3,(H2,16,17,19)
InChIKeyOXRJDHFNHOZNBL-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.08
Rot. Bonds5

About 5-amino-3-(cyclopropylmethyl)-4-[3-(methoxymethyl)phenyl]-4H-imidazol-2-one

5-amino-3-(cyclopropylmethyl)-4-[3-(methoxymethyl)phenyl]-4H-imidazol-2-one (PubChem CID 79979531) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 5-amino-3-(cyclopropylmethyl)-4-[3-(methoxymethyl)phenyl]-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-3-(cyclopropylmethyl)-4-[3-(methoxymethyl)phenyl]-4H-imidazol-2-one
PubChem CID79979531
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name5-amino-3-(cyclopropylmethyl)-4-[3-(methoxymethyl)phenyl]-4H-imidazol-2-one
SMILESCOCc1cccc(C2C(N)=NC(=O)N2CC2CC2)c1
InChIInChI=1S/C15H19N3O2/c1-20-9-11-3-2-4-12(7-11)13-14(16)17-15(19)18(13)8-10-5-6-10/h2-4,7,10,13H,5-6,8-9H2,1H3,(H2,16,17,19)
InChIKeyOXRJDHFNHOZNBL-UHFFFAOYSA-N
XLogP2.08
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-4-[3-(methoxymethyl)phenyl]-3-methyl-4H-imidazol-2-one
CID 79961251
5-amino-3-(cyclopropylmethyl)-4-(3-propoxyphenyl)-4H-imidazol-2-one
CID 79967643
5-amino-3-(cyclopropylmethyl)-4-(3,5-dimethoxyphenyl)-4H-imidazol-2-one
CID 79968318
5-amino-4-(5-bromo-3-pyridinyl)-3-(cyclopropylmethyl)-4H-imidazol-2-one
CID 113469936
5-amino-3-(cyclopropylmethyl)-4-(5-methylthiophen-2-yl)-4H-imidazol-2-one
CID 79985888
5-amino-4-(3-fluorophenyl)-3-propyl-4H-imidazol-2-one
CID 79959461
1-cyclopropyl-4-imino-5-[3-(methoxymethyl)phenyl]imidazolidin-2-one
CID 138389220
3-(5-amino-2-oxo-3-propyl-4H-imidazol-4-yl)benzonitrile
CID 79961947
5-amino-4-(3-ethoxy-4-hydroxyphenyl)-3-(2-methoxyethyl)-4H-imidazol-2-one
CID 79973133
5-amino-3-cyclopropyl-4-(3-methylphenyl)-4H-imidazol-2-one
CID 79961022
4-[3-(methoxymethyl)phenyl]-5-methylpyrrolidin-2-one
CID 66106095
5-[3-(methoxymethyl)phenyl]-1-prop-2-enyl-4,5-dihydroimidazol-2-amine
CID 79498051

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(cyclopropylmethyl)-4-[3-(methoxymethyl)phenyl]-4H-imidazol-2-one?
The IUPAC name of 5-amino-3-(cyclopropylmethyl)-4-[3-(methoxymethyl)phenyl]-4H-imidazol-2-one (CID 79979531) is 5-amino-3-(cyclopropylmethyl)-4-[3-(methoxymethyl)phenyl]-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-3-(cyclopropylmethyl)-4-[3-(methoxymethyl)phenyl]-4H-imidazol-2-one?
The canonical SMILES for 5-amino-3-(cyclopropylmethyl)-4-[3-(methoxymethyl)phenyl]-4H-imidazol-2-one is COCc1cccc(C2C(N)=NC(=O)N2CC2CC2)c1.
What is the InChIKey of 5-amino-3-(cyclopropylmethyl)-4-[3-(methoxymethyl)phenyl]-4H-imidazol-2-one?
The InChIKey is OXRJDHFNHOZNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-20-9-11-3-2-4-12(7-11)13-14(16)17-15(19)18(13)8-10-5-6-10/h2-4,7,10,13H,5-6,8-9H2,1H3,(H2,16,17,19).
What are the key properties of 5-amino-3-(cyclopropylmethyl)-4-[3-(methoxymethyl)phenyl]-4H-imidazol-2-one?
5-amino-3-(cyclopropylmethyl)-4-[3-(methoxymethyl)phenyl]-4H-imidazol-2-one has a molecular weight of 273.34 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(cyclopropylmethyl)-4-[3-(methoxymethyl)phenyl]-4H-imidazol-2-one is sourced from PubChem (CID 79979531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).