3-[3-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)propyl]-3-phenyl-1H-indol-2-one

C21H23N3O — CID 70286348

IUPAC3-[3-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)propyl]-3-phenyl-1H-indol-2-one
SMILESCC1=NCC(CCCC2(c3ccccc3)C(=O)Nc3ccccc32)N1
InChIInChI=1S/C21H23N3O/c1-15-22-14-17(23-15)10-7-13-21(16-8-3-2-4-9-16)18-11-5-6-12-19(18)24-20(21)25/h2-6,8-9,11-12,17H,7,10,13-14H2,1H3,(H,22,23)(H,24,25)
InChIKeyIGURXRMOGRERNH-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.49
Rot. Bonds5

About 3-[3-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)propyl]-3-phenyl-1H-indol-2-one

3-[3-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)propyl]-3-phenyl-1H-indol-2-one (PubChem CID 70286348) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 3-[3-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)propyl]-3-phenyl-1H-indol-2-one.

Molecular Properties

Compound Name3-[3-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)propyl]-3-phenyl-1H-indol-2-one
PubChem CID70286348
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name3-[3-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)propyl]-3-phenyl-1H-indol-2-one
SMILESCC1=NCC(CCCC2(c3ccccc3)C(=O)Nc3ccccc32)N1
InChIInChI=1S/C21H23N3O/c1-15-22-14-17(23-15)10-7-13-21(16-8-3-2-4-9-16)18-11-5-6-12-19(18)24-20(21)25/h2-6,8-9,11-12,17H,7,10,13-14H2,1H3,(H,22,23)(H,24,25)
InChIKeyIGURXRMOGRERNH-UHFFFAOYSA-N
XLogP3.49
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[3-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)propyl]-3-phenyl-1H-indol-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-[3-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)propyl]-3-phenyl-1H-indol-2-one?
The IUPAC name of 3-[3-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)propyl]-3-phenyl-1H-indol-2-one (CID 70286348) is 3-[3-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)propyl]-3-phenyl-1H-indol-2-one.
What is the SMILES notation for 3-[3-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)propyl]-3-phenyl-1H-indol-2-one?
The canonical SMILES for 3-[3-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)propyl]-3-phenyl-1H-indol-2-one is CC1=NCC(CCCC2(c3ccccc3)C(=O)Nc3ccccc32)N1.
What is the InChIKey of 3-[3-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)propyl]-3-phenyl-1H-indol-2-one?
The InChIKey is IGURXRMOGRERNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-15-22-14-17(23-15)10-7-13-21(16-8-3-2-4-9-16)18-11-5-6-12-19(18)24-20(21)25/h2-6,8-9,11-12,17H,7,10,13-14H2,1H3,(H,22,23)(H,24,25).
What are the key properties of 3-[3-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)propyl]-3-phenyl-1H-indol-2-one?
3-[3-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)propyl]-3-phenyl-1H-indol-2-one has a molecular weight of 333.44 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)propyl]-3-phenyl-1H-indol-2-one is sourced from PubChem (CID 70286348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).