1-methyl-3-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]imidazol-2-one

C23H25N3O2 — CID 58393517

IUPAC1-methyl-3-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]imidazol-2-one
SMILESCn1ccn(-c2cccc(O[C@H]3c4ccccc4C[C@@H]3N3CCCC3)c2)c1=O
InChIInChI=1S/C23H25N3O2/c1-24-13-14-26(23(24)27)18-8-6-9-19(16-18)28-22-20-10-3-2-7-17(20)15-21(22)25-11-4-5-12-25/h2-3,6-10,13-14,16,21-22H,4-5,11-12,15H2,1H3/t21-,22-/m0/s1
InChIKeyWXVVDXXTEDOABO-VXKWHMMOSA-N
MW375.47 g/mol
LogP3.32
Rot. Bonds4

About 1-methyl-3-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]imidazol-2-one

1-methyl-3-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]imidazol-2-one (PubChem CID 58393517) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 1-methyl-3-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]imidazol-2-one.

Molecular Properties

Compound Name1-methyl-3-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]imidazol-2-one
PubChem CID58393517
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name1-methyl-3-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]imidazol-2-one
SMILESCn1ccn(-c2cccc(O[C@H]3c4ccccc4C[C@@H]3N3CCCC3)c2)c1=O
InChIInChI=1S/C23H25N3O2/c1-24-13-14-26(23(24)27)18-8-6-9-19(16-18)28-22-20-10-3-2-7-17(20)15-21(22)25-11-4-5-12-25/h2-3,6-10,13-14,16,21-22H,4-5,11-12,15H2,1H3/t21-,22-/m0/s1
InChIKeyWXVVDXXTEDOABO-VXKWHMMOSA-N
XLogP3.32
TPSA39.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-methyl-3-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]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 1-methyl-3-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]imidazol-2-one?
The IUPAC name of 1-methyl-3-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]imidazol-2-one (CID 58393517) is 1-methyl-3-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]imidazol-2-one.
What is the SMILES notation for 1-methyl-3-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]imidazol-2-one?
The canonical SMILES for 1-methyl-3-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]imidazol-2-one is Cn1ccn(-c2cccc(O[C@H]3c4ccccc4C[C@@H]3N3CCCC3)c2)c1=O.
What is the InChIKey of 1-methyl-3-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]imidazol-2-one?
The InChIKey is WXVVDXXTEDOABO-VXKWHMMOSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-24-13-14-26(23(24)27)18-8-6-9-19(16-18)28-22-20-10-3-2-7-17(20)15-21(22)25-11-4-5-12-25/h2-3,6-10,13-14,16,21-22H,4-5,11-12,15H2,1H3/t21-,22-/m0/s1.
What are the key properties of 1-methyl-3-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]imidazol-2-one?
1-methyl-3-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]imidazol-2-one has a molecular weight of 375.47 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]imidazol-2-one is sourced from PubChem (CID 58393517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).