1-[5-(3-amino-4-phenylpyrrolidine-1-carbonyl)-2-methylphenyl]imidazolidin-2-one

C21H24N4O2 — CID 156606116

IUPAC1-[5-(3-amino-4-phenylpyrrolidine-1-carbonyl)-2-methylphenyl]imidazolidin-2-one
SMILESCc1ccc(C(=O)N2CC(N)C(c3ccccc3)C2)cc1N1CCNC1=O
InChIInChI=1S/C21H24N4O2/c1-14-7-8-16(11-19(14)25-10-9-23-21(25)27)20(26)24-12-17(18(22)13-24)15-5-3-2-4-6-15/h2-8,11,17-18H,9-10,12-13,22H2,1H3,(H,23,27)
InChIKeyBVPVOUNHGDENRT-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.09
Rot. Bonds3

About 1-[5-(3-amino-4-phenylpyrrolidine-1-carbonyl)-2-methylphenyl]imidazolidin-2-one

1-[5-(3-amino-4-phenylpyrrolidine-1-carbonyl)-2-methylphenyl]imidazolidin-2-one (PubChem CID 156606116) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-[5-(3-amino-4-phenylpyrrolidine-1-carbonyl)-2-methylphenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[5-(3-amino-4-phenylpyrrolidine-1-carbonyl)-2-methylphenyl]imidazolidin-2-one
PubChem CID156606116
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name1-[5-(3-amino-4-phenylpyrrolidine-1-carbonyl)-2-methylphenyl]imidazolidin-2-one
SMILESCc1ccc(C(=O)N2CC(N)C(c3ccccc3)C2)cc1N1CCNC1=O
InChIInChI=1S/C21H24N4O2/c1-14-7-8-16(11-19(14)25-10-9-23-21(25)27)20(26)24-12-17(18(22)13-24)15-5-3-2-4-6-15/h2-8,11,17-18H,9-10,12-13,22H2,1H3,(H,23,27)
InChIKeyBVPVOUNHGDENRT-UHFFFAOYSA-N
XLogP2.09
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one
CID 120748028
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(3-chloro-4-methylphenyl)methanone;hydrochloride
CID 120749127
1-[2-methyl-5-[(3R)-3-(3-methylphenyl)piperidine-1-carbonyl]phenyl]imidazolidin-2-one
CID 97127410
1-[5-[(3R)-3-methoxypiperidine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one
CID 97141117
1-[5-(3-methoxypiperidine-1-carbonyl)-2-methylphenyl]imidazolidin-2-one
CID 70761074
1-[5-[2-(4-fluorophenyl)morpholine-4-carbonyl]-2-methylphenyl]imidazolidin-2-one
CID 70761450
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(3-methyl-4-nitrophenyl)methanone;hydrochloride
CID 120749859
1-[4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]phenyl]ethanone;hydrochloride
CID 120746934
1-[5-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one
CID 72910098
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(2,4-dimethylphenyl)methanone
CID 120749868
(2R)-1-[4-methyl-3-(2-oxoimidazolidin-1-yl)benzoyl]pyrrolidine-2-carboxylic acid
CID 97206305
1-[5-[(1R,5S)-3,8-diazabicyclo[3.2.1]octane-8-carbonyl]-2-methylphenyl]imidazolidin-2-one
CID 70756934

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-amino-4-phenylpyrrolidine-1-carbonyl)-2-methylphenyl]imidazolidin-2-one?
The IUPAC name of 1-[5-(3-amino-4-phenylpyrrolidine-1-carbonyl)-2-methylphenyl]imidazolidin-2-one (CID 156606116) is 1-[5-(3-amino-4-phenylpyrrolidine-1-carbonyl)-2-methylphenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[5-(3-amino-4-phenylpyrrolidine-1-carbonyl)-2-methylphenyl]imidazolidin-2-one?
The canonical SMILES for 1-[5-(3-amino-4-phenylpyrrolidine-1-carbonyl)-2-methylphenyl]imidazolidin-2-one is Cc1ccc(C(=O)N2CC(N)C(c3ccccc3)C2)cc1N1CCNC1=O.
What is the InChIKey of 1-[5-(3-amino-4-phenylpyrrolidine-1-carbonyl)-2-methylphenyl]imidazolidin-2-one?
The InChIKey is BVPVOUNHGDENRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-14-7-8-16(11-19(14)25-10-9-23-21(25)27)20(26)24-12-17(18(22)13-24)15-5-3-2-4-6-15/h2-8,11,17-18H,9-10,12-13,22H2,1H3,(H,23,27).
What are the key properties of 1-[5-(3-amino-4-phenylpyrrolidine-1-carbonyl)-2-methylphenyl]imidazolidin-2-one?
1-[5-(3-amino-4-phenylpyrrolidine-1-carbonyl)-2-methylphenyl]imidazolidin-2-one has a molecular weight of 364.45 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-amino-4-phenylpyrrolidine-1-carbonyl)-2-methylphenyl]imidazolidin-2-one is sourced from PubChem (CID 156606116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).