4-[(4-aminophenyl)methyl]-1-benzyl-3-methylimidazolidin-2-one;hydrochloride

C18H22ClN3O — CID 19752585

IUPAC4-[(4-aminophenyl)methyl]-1-benzyl-3-methylimidazolidin-2-one;hydrochloride
SMILESCN1C(=O)N(Cc2ccccc2)CC1Cc1ccc(N)cc1.Cl
InChIInChI=1S/C18H21N3O.ClH/c1-20-17(11-14-7-9-16(19)10-8-14)13-21(18(20)22)12-15-5-3-2-4-6-15;/h2-10,17H,11-13,19H2,1H3;1H
InChIKeyRRRHKSDHEJAWOP-UHFFFAOYSA-N
MW331.85 g/mol
LogP3.17
Rot. Bonds4

About 4-[(4-aminophenyl)methyl]-1-benzyl-3-methylimidazolidin-2-one;hydrochloride

4-[(4-aminophenyl)methyl]-1-benzyl-3-methylimidazolidin-2-one;hydrochloride (PubChem CID 19752585) has the molecular formula C18H22ClN3O and a molecular weight of 331.85 g/mol. Its IUPAC name is 4-[(4-aminophenyl)methyl]-1-benzyl-3-methylimidazolidin-2-one;hydrochloride.

Molecular Properties

Compound Name4-[(4-aminophenyl)methyl]-1-benzyl-3-methylimidazolidin-2-one;hydrochloride
PubChem CID19752585
Molecular FormulaC18H22ClN3O
Molecular Weight331.85 g/mol
Exact Mass331.15
IUPAC Name4-[(4-aminophenyl)methyl]-1-benzyl-3-methylimidazolidin-2-one;hydrochloride
SMILESCN1C(=O)N(Cc2ccccc2)CC1Cc1ccc(N)cc1.Cl
InChIInChI=1S/C18H21N3O.ClH/c1-20-17(11-14-7-9-16(19)10-8-14)13-21(18(20)22)12-15-5-3-2-4-6-15;/h2-10,17H,11-13,19H2,1H3;1H
InChIKeyRRRHKSDHEJAWOP-UHFFFAOYSA-N
XLogP3.17
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.85
LogP ≤ 53.17
H-Bond Donors ≤ 51
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

(5S)-5-benzyl-1,4-dimethylpiperazine-2,3-dione
CID 139093059
(4S)-1-[(4-aminophenyl)methyl]-4-phenylimidazolidin-2-one
CID 142669131
(2R)-2-benzyl-1-methylaziridine
CID 87174257
1,3-dibenzyl-5-phenyl-1,3-diazinan-2-one
CID 59057333
(5R)-5-benzyl-1-methylimidazolidin-2-one
CID 95426077
(5S)-5-benzyl-1-methylimidazolidin-2-one
CID 95426078
2-(4-aminophenyl)-N-(1-benzyl-2-oxopyrrolidin-3-yl)acetamide;hydrochloride
CID 119757803
1-[(4-aminophenyl)methyl]-4-methylpiperazine-2,5-dione
CID 79936216
(4R)-4-benzyl-3-methyl-1,3-oxazolidin-2-one
CID 14836208
(5R,7S,8R,8aS)-2-benzyl-7-hydroxy-5-(hydroxymethyl)-8-methyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-one
CID 102185198
4-(anilinomethyl)-1-benzyl-3-phenylimidazolidin-2-one
CID 102042871
(4S)-3,4-dibenzyl-1-[2,6-di(propan-2-yl)phenyl]imidazolidine
CID 102432198

Frequently Asked Questions

What is the IUPAC name of 4-[(4-aminophenyl)methyl]-1-benzyl-3-methylimidazolidin-2-one;hydrochloride?
The IUPAC name of 4-[(4-aminophenyl)methyl]-1-benzyl-3-methylimidazolidin-2-one;hydrochloride (CID 19752585) is 4-[(4-aminophenyl)methyl]-1-benzyl-3-methylimidazolidin-2-one;hydrochloride.
What is the SMILES notation for 4-[(4-aminophenyl)methyl]-1-benzyl-3-methylimidazolidin-2-one;hydrochloride?
The canonical SMILES for 4-[(4-aminophenyl)methyl]-1-benzyl-3-methylimidazolidin-2-one;hydrochloride is CN1C(=O)N(Cc2ccccc2)CC1Cc1ccc(N)cc1.Cl.
What is the InChIKey of 4-[(4-aminophenyl)methyl]-1-benzyl-3-methylimidazolidin-2-one;hydrochloride?
The InChIKey is RRRHKSDHEJAWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O.ClH/c1-20-17(11-14-7-9-16(19)10-8-14)13-21(18(20)22)12-15-5-3-2-4-6-15;/h2-10,17H,11-13,19H2,1H3;1H.
What are the key properties of 4-[(4-aminophenyl)methyl]-1-benzyl-3-methylimidazolidin-2-one;hydrochloride?
4-[(4-aminophenyl)methyl]-1-benzyl-3-methylimidazolidin-2-one;hydrochloride has a molecular weight of 331.85 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminophenyl)methyl]-1-benzyl-3-methylimidazolidin-2-one;hydrochloride is sourced from PubChem (CID 19752585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).