3-[4-(1-cyclopropylpropylamino)phenyl]-1H-imidazol-2-one

C15H19N3O — CID 64918633

IUPAC3-[4-(1-cyclopropylpropylamino)phenyl]-1H-imidazol-2-one
SMILESCCC(Nc1ccc(-n2cc[nH]c2=O)cc1)C1CC1
InChIInChI=1S/C15H19N3O/c1-2-14(11-3-4-11)17-12-5-7-13(8-6-12)18-10-9-16-15(18)19/h5-11,14,17H,2-4H2,1H3,(H,16,19)
InChIKeyIDGBATVNQFVUGO-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.77
Rot. Bonds5

About 3-[4-(1-cyclopropylpropylamino)phenyl]-1H-imidazol-2-one

3-[4-(1-cyclopropylpropylamino)phenyl]-1H-imidazol-2-one (PubChem CID 64918633) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-[4-(1-cyclopropylpropylamino)phenyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[4-(1-cyclopropylpropylamino)phenyl]-1H-imidazol-2-one
PubChem CID64918633
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name3-[4-(1-cyclopropylpropylamino)phenyl]-1H-imidazol-2-one
SMILESCCC(Nc1ccc(-n2cc[nH]c2=O)cc1)C1CC1
InChIInChI=1S/C15H19N3O/c1-2-14(11-3-4-11)17-12-5-7-13(8-6-12)18-10-9-16-15(18)19/h5-11,14,17H,2-4H2,1H3,(H,16,19)
InChIKeyIDGBATVNQFVUGO-UHFFFAOYSA-N
XLogP2.77
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[4-(1-cyclopropylpropylamino)phenyl]-1H-imidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-cyclopropylpropylamino)phenyl]-1H-imidazol-2-one?
The IUPAC name of 3-[4-(1-cyclopropylpropylamino)phenyl]-1H-imidazol-2-one (CID 64918633) is 3-[4-(1-cyclopropylpropylamino)phenyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-[4-(1-cyclopropylpropylamino)phenyl]-1H-imidazol-2-one?
The canonical SMILES for 3-[4-(1-cyclopropylpropylamino)phenyl]-1H-imidazol-2-one is CCC(Nc1ccc(-n2cc[nH]c2=O)cc1)C1CC1.
What is the InChIKey of 3-[4-(1-cyclopropylpropylamino)phenyl]-1H-imidazol-2-one?
The InChIKey is IDGBATVNQFVUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-2-14(11-3-4-11)17-12-5-7-13(8-6-12)18-10-9-16-15(18)19/h5-11,14,17H,2-4H2,1H3,(H,16,19).
What are the key properties of 3-[4-(1-cyclopropylpropylamino)phenyl]-1H-imidazol-2-one?
3-[4-(1-cyclopropylpropylamino)phenyl]-1H-imidazol-2-one has a molecular weight of 257.34 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-cyclopropylpropylamino)phenyl]-1H-imidazol-2-one is sourced from PubChem (CID 64918633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).