(4S)-1-[(4-aminophenyl)methyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)imidazolidin-2-one

C22H27N3O3 — CID 54376016

IUPAC(4S)-1-[(4-aminophenyl)methyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)imidazolidin-2-one
SMILESCOc1ccc([C@H]2CN(Cc3ccc(N)cc3)C(=O)N2)cc1OC1CCCC1
InChIInChI=1S/C22H27N3O3/c1-27-20-11-8-16(12-21(20)28-18-4-2-3-5-18)19-14-25(22(26)24-19)13-15-6-9-17(23)10-7-15/h6-12,18-19H,2-5,13-14,23H2,1H3,(H,24,26)/t19-/m1/s1
InChIKeyUWNLWESNABOUGB-LJQANCHMSA-N
MW381.48 g/mol
LogP3.87
Rot. Bonds6

About (4S)-1-[(4-aminophenyl)methyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)imidazolidin-2-one

(4S)-1-[(4-aminophenyl)methyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)imidazolidin-2-one (PubChem CID 54376016) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is (4S)-1-[(4-aminophenyl)methyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)imidazolidin-2-one.

Molecular Properties

Compound Name(4S)-1-[(4-aminophenyl)methyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)imidazolidin-2-one
PubChem CID54376016
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name(4S)-1-[(4-aminophenyl)methyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)imidazolidin-2-one
SMILESCOc1ccc([C@H]2CN(Cc3ccc(N)cc3)C(=O)N2)cc1OC1CCCC1
InChIInChI=1S/C22H27N3O3/c1-27-20-11-8-16(12-21(20)28-18-4-2-3-5-18)19-14-25(22(26)24-19)13-15-6-9-17(23)10-7-15/h6-12,18-19H,2-5,13-14,23H2,1H3,(H,24,26)/t19-/m1/s1
InChIKeyUWNLWESNABOUGB-LJQANCHMSA-N
XLogP3.87
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze (4S)-1-[(4-aminophenyl)methyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)imidazolidin-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

Related Compounds

1-[(4-amino-3-pyridinyl)methyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)imidazolidin-2-one
CID 54286570
(4S)-1-[(4-aminophenyl)methyl]-4-phenylimidazolidin-2-one
CID 142669131
2-[4-(3,4-dimethoxyphenyl)-2-oxoimidazolidin-1-yl]acetonitrile
CID 116980138
(4S)-1-[(3-chlorophenyl)methyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one
CID 10200965
N-[4-[[4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]methyl]phenyl]methanesulfonamide
CID 70067204
(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[(3-fluorophenyl)methyl]pyrrolidin-2-one
CID 10293339
(4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-methylpyrrolidin-2-one
CID 53237242
2-[4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]acetyl chloride
CID 23614685
2-[(4-aminophenyl)methyl]-6-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-3-carbaldehyde
CID 174379763
(3-cyclopentyloxy-4-methoxyphenyl)methylhydrazine
CID 143235659
(3R,4S)-1-carbamoyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 54097599
4-(bromomethyl)-1-cyclopentyloxy-2-methoxybenzene;4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]pyrrolidin-2-one;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one
CID 162092227

Frequently Asked Questions

What is the IUPAC name of (4S)-1-[(4-aminophenyl)methyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)imidazolidin-2-one?
The IUPAC name of (4S)-1-[(4-aminophenyl)methyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)imidazolidin-2-one (CID 54376016) is (4S)-1-[(4-aminophenyl)methyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)imidazolidin-2-one.
What is the SMILES notation for (4S)-1-[(4-aminophenyl)methyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)imidazolidin-2-one?
The canonical SMILES for (4S)-1-[(4-aminophenyl)methyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)imidazolidin-2-one is COc1ccc([C@H]2CN(Cc3ccc(N)cc3)C(=O)N2)cc1OC1CCCC1.
What is the InChIKey of (4S)-1-[(4-aminophenyl)methyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)imidazolidin-2-one?
The InChIKey is UWNLWESNABOUGB-LJQANCHMSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-27-20-11-8-16(12-21(20)28-18-4-2-3-5-18)19-14-25(22(26)24-19)13-15-6-9-17(23)10-7-15/h6-12,18-19H,2-5,13-14,23H2,1H3,(H,24,26)/t19-/m1/s1.
What are the key properties of (4S)-1-[(4-aminophenyl)methyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)imidazolidin-2-one?
(4S)-1-[(4-aminophenyl)methyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)imidazolidin-2-one has a molecular weight of 381.48 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-[(4-aminophenyl)methyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)imidazolidin-2-one is sourced from PubChem (CID 54376016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).