2-amino-5-cyclopropyl-3-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one

C18H18N4O — CID 59262423

IUPAC2-amino-5-cyclopropyl-3-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one
SMILESCN1C(=O)C(c2cccc(-c3cccnc3)c2)(C2CC2)N=C1N
InChIInChI=1S/C18H18N4O/c1-22-16(23)18(14-7-8-14,21-17(22)19)15-6-2-4-12(10-15)13-5-3-9-20-11-13/h2-6,9-11,14H,7-8H2,1H3,(H2,19,21)
InChIKeyWPHFNWNNCCSZJG-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.14
Rot. Bonds3

About 2-amino-5-cyclopropyl-3-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one

2-amino-5-cyclopropyl-3-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one (PubChem CID 59262423) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-amino-5-cyclopropyl-3-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one.

Molecular Properties

Compound Name2-amino-5-cyclopropyl-3-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one
PubChem CID59262423
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name2-amino-5-cyclopropyl-3-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one
SMILESCN1C(=O)C(c2cccc(-c3cccnc3)c2)(C2CC2)N=C1N
InChIInChI=1S/C18H18N4O/c1-22-16(23)18(14-7-8-14,21-17(22)19)15-6-2-4-12(10-15)13-5-3-9-20-11-13/h2-6,9-11,14H,7-8H2,1H3,(H2,19,21)
InChIKeyWPHFNWNNCCSZJG-UHFFFAOYSA-N
XLogP2.14
TPSA71.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-cyclopropyl-3-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one?
The IUPAC name of 2-amino-5-cyclopropyl-3-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one (CID 59262423) is 2-amino-5-cyclopropyl-3-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one.
What is the SMILES notation for 2-amino-5-cyclopropyl-3-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one?
The canonical SMILES for 2-amino-5-cyclopropyl-3-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one is CN1C(=O)C(c2cccc(-c3cccnc3)c2)(C2CC2)N=C1N.
What is the InChIKey of 2-amino-5-cyclopropyl-3-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one?
The InChIKey is WPHFNWNNCCSZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-22-16(23)18(14-7-8-14,21-17(22)19)15-6-2-4-12(10-15)13-5-3-9-20-11-13/h2-6,9-11,14H,7-8H2,1H3,(H2,19,21).
What are the key properties of 2-amino-5-cyclopropyl-3-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one?
2-amino-5-cyclopropyl-3-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one has a molecular weight of 306.37 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-cyclopropyl-3-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one is sourced from PubChem (CID 59262423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).