(4S)-1-[(4-aminophenyl)methyl]-4-phenylimidazolidin-2-one

C16H17N3O — CID 142669131

IUPAC(4S)-1-[(4-aminophenyl)methyl]-4-phenylimidazolidin-2-one
SMILESNc1ccc(CN2C[C@H](c3ccccc3)NC2=O)cc1
InChIInChI=1S/C16H17N3O/c17-14-8-6-12(7-9-14)10-19-11-15(18-16(19)20)13-4-2-1-3-5-13/h1-9,15H,10-11,17H2,(H,18,20)/t15-/m1/s1
InChIKeyPYENAHDZLTWIKR-OAHLLOKOSA-N
MW267.33 g/mol
LogP2.54
Rot. Bonds3

About (4S)-1-[(4-aminophenyl)methyl]-4-phenylimidazolidin-2-one

(4S)-1-[(4-aminophenyl)methyl]-4-phenylimidazolidin-2-one (PubChem CID 142669131) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is (4S)-1-[(4-aminophenyl)methyl]-4-phenylimidazolidin-2-one.

Molecular Properties

Compound Name(4S)-1-[(4-aminophenyl)methyl]-4-phenylimidazolidin-2-one
PubChem CID142669131
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name(4S)-1-[(4-aminophenyl)methyl]-4-phenylimidazolidin-2-one
SMILESNc1ccc(CN2C[C@H](c3ccccc3)NC2=O)cc1
InChIInChI=1S/C16H17N3O/c17-14-8-6-12(7-9-14)10-19-11-15(18-16(19)20)13-4-2-1-3-5-13/h1-9,15H,10-11,17H2,(H,18,20)/t15-/m1/s1
InChIKeyPYENAHDZLTWIKR-OAHLLOKOSA-N
XLogP2.54
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4S)-1-benzyl-4-phenylimidazolidin-2-one
CID 142669129
4-amino-N-[2-methyl-4-[[(4S)-2-oxo-4-phenylimidazolidin-1-yl]methyl]phenyl]benzamide
CID 142669098
(4S)-1-[(4-aminophenyl)methyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)imidazolidin-2-one
CID 54376016
(4S)-1,4-diphenylimidazolidin-2-one
CID 163207794
(4S)-1-[[3-bromo-4-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]-4-phenylimidazolidin-2-one
CID 142669091
(4R)-1-nitroso-4-phenylimidazolidin-2-one
CID 142070410
1-ethyl-4-(4-ethylphenyl)imidazolidin-2-one
CID 116980946
(4S)-1-[[3-methyl-4-(4-piperidin-1-ylbutoxy)phenyl]methyl]-4-phenylimidazolidin-2-one
CID 142669096
4-[(4-aminophenyl)methyl]-1-benzyl-3-methylimidazolidin-2-one;hydrochloride
CID 19752585
1,3-dibenzyl-5-phenyl-1,3-diazinan-2-one
CID 59057333
4-[(4-aminophenyl)methyl]-1,3-dihydroquinoxalin-2-one
CID 28822188
1-benzyl-3-phenyl-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 79910404

Frequently Asked Questions

What is the IUPAC name of (4S)-1-[(4-aminophenyl)methyl]-4-phenylimidazolidin-2-one?
The IUPAC name of (4S)-1-[(4-aminophenyl)methyl]-4-phenylimidazolidin-2-one (CID 142669131) is (4S)-1-[(4-aminophenyl)methyl]-4-phenylimidazolidin-2-one.
What is the SMILES notation for (4S)-1-[(4-aminophenyl)methyl]-4-phenylimidazolidin-2-one?
The canonical SMILES for (4S)-1-[(4-aminophenyl)methyl]-4-phenylimidazolidin-2-one is Nc1ccc(CN2C[C@H](c3ccccc3)NC2=O)cc1.
What is the InChIKey of (4S)-1-[(4-aminophenyl)methyl]-4-phenylimidazolidin-2-one?
The InChIKey is PYENAHDZLTWIKR-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H17N3O/c17-14-8-6-12(7-9-14)10-19-11-15(18-16(19)20)13-4-2-1-3-5-13/h1-9,15H,10-11,17H2,(H,18,20)/t15-/m1/s1.
What are the key properties of (4S)-1-[(4-aminophenyl)methyl]-4-phenylimidazolidin-2-one?
(4S)-1-[(4-aminophenyl)methyl]-4-phenylimidazolidin-2-one has a molecular weight of 267.33 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-[(4-aminophenyl)methyl]-4-phenylimidazolidin-2-one is sourced from PubChem (CID 142669131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).