2-(cyclopropylamino)-4-(4-propan-2-ylphenyl)-1,4-dihydroimidazol-5-one

C15H19N3O — CID 82998176

IUPAC2-(cyclopropylamino)-4-(4-propan-2-ylphenyl)-1,4-dihydroimidazol-5-one
SMILESCC(C)c1ccc(C2N=C(NC3CC3)NC2=O)cc1
InChIInChI=1S/C15H19N3O/c1-9(2)10-3-5-11(6-4-10)13-14(19)18-15(17-13)16-12-7-8-12/h3-6,9,12-13H,7-8H2,1-2H3,(H2,16,17,18,19)
InChIKeyLWSBXSFCTJKJCB-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.09
Rot. Bonds3

About 2-(cyclopropylamino)-4-(4-propan-2-ylphenyl)-1,4-dihydroimidazol-5-one

2-(cyclopropylamino)-4-(4-propan-2-ylphenyl)-1,4-dihydroimidazol-5-one (PubChem CID 82998176) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-(4-propan-2-ylphenyl)-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-(4-propan-2-ylphenyl)-1,4-dihydroimidazol-5-one
PubChem CID82998176
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-(cyclopropylamino)-4-(4-propan-2-ylphenyl)-1,4-dihydroimidazol-5-one
SMILESCC(C)c1ccc(C2N=C(NC3CC3)NC2=O)cc1
InChIInChI=1S/C15H19N3O/c1-9(2)10-3-5-11(6-4-10)13-14(19)18-15(17-13)16-12-7-8-12/h3-6,9,12-13H,7-8H2,1-2H3,(H2,16,17,18,19)
InChIKeyLWSBXSFCTJKJCB-UHFFFAOYSA-N
XLogP2.09
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-(4-propan-2-ylphenyl)-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-(cyclopropylamino)-4-(4-propan-2-ylphenyl)-1,4-dihydroimidazol-5-one (CID 82998176) is 2-(cyclopropylamino)-4-(4-propan-2-ylphenyl)-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-(cyclopropylamino)-4-(4-propan-2-ylphenyl)-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-(cyclopropylamino)-4-(4-propan-2-ylphenyl)-1,4-dihydroimidazol-5-one is CC(C)c1ccc(C2N=C(NC3CC3)NC2=O)cc1.
What is the InChIKey of 2-(cyclopropylamino)-4-(4-propan-2-ylphenyl)-1,4-dihydroimidazol-5-one?
The InChIKey is LWSBXSFCTJKJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-9(2)10-3-5-11(6-4-10)13-14(19)18-15(17-13)16-12-7-8-12/h3-6,9,12-13H,7-8H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 2-(cyclopropylamino)-4-(4-propan-2-ylphenyl)-1,4-dihydroimidazol-5-one?
2-(cyclopropylamino)-4-(4-propan-2-ylphenyl)-1,4-dihydroimidazol-5-one has a molecular weight of 257.34 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-(4-propan-2-ylphenyl)-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 82998176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).