1-[4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one

C20H22N4O2 — CID 120748028

IUPAC1-[4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one
SMILESN[C@@H]1CN(C(=O)c2ccc(N3CCNC3=O)cc2)C[C@H]1c1ccccc1
InChIInChI=1S/C20H22N4O2/c21-18-13-23(12-17(18)14-4-2-1-3-5-14)19(25)15-6-8-16(9-7-15)24-11-10-22-20(24)26/h1-9,17-18H,10-13,21H2,(H,22,26)/t17-,18+/m0/s1
InChIKeyYLTUQQDKYDVTDS-ZWKOTPCHSA-N
MW350.42 g/mol
LogP1.78
Rot. Bonds3

About 1-[4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one

1-[4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one (PubChem CID 120748028) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 1-[4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one
PubChem CID120748028
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name1-[4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one
SMILESN[C@@H]1CN(C(=O)c2ccc(N3CCNC3=O)cc2)C[C@H]1c1ccccc1
InChIInChI=1S/C20H22N4O2/c21-18-13-23(12-17(18)14-4-2-1-3-5-14)19(25)15-6-8-16(9-7-15)24-11-10-22-20(24)26/h1-9,17-18H,10-13,21H2,(H,22,26)/t17-,18+/m0/s1
InChIKeyYLTUQQDKYDVTDS-ZWKOTPCHSA-N
XLogP1.78
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(3-amino-4-phenylpyrrolidine-1-carbonyl)-2-methylphenyl]imidazolidin-2-one
CID 156606116
1-[4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]phenyl]ethanone;hydrochloride
CID 120746934
1-[3-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-4-chlorophenyl]imidazolidin-2-one;hydrochloride
CID 120744003
3-[[4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione;hydrochloride
CID 120749703
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(4-propylphenyl)methanone
CID 120746415
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[4-(methylsulfanylmethyl)phenyl]methanone
CID 120748120
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone;hydrochloride
CID 120749323
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(3-chloro-4-methylphenyl)methanone;hydrochloride
CID 120749127
5-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-3-bromo-1H-pyridin-2-one
CID 120748398
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(4-prop-2-enoxyphenyl)methanone
CID 120746295
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[4-(difluoromethylsulfonylmethyl)phenyl]methanone
CID 120746283
ethyl 4-[4-(2-oxoimidazolidin-1-yl)benzoyl]piperazine-1-carboxylate
CID 51298973

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one?
The IUPAC name of 1-[4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one (CID 120748028) is 1-[4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one?
The canonical SMILES for 1-[4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one is N[C@@H]1CN(C(=O)c2ccc(N3CCNC3=O)cc2)C[C@H]1c1ccccc1.
What is the InChIKey of 1-[4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one?
The InChIKey is YLTUQQDKYDVTDS-ZWKOTPCHSA-N. The full InChI is InChI=1S/C20H22N4O2/c21-18-13-23(12-17(18)14-4-2-1-3-5-14)19(25)15-6-8-16(9-7-15)24-11-10-22-20(24)26/h1-9,17-18H,10-13,21H2,(H,22,26)/t17-,18+/m0/s1.
What are the key properties of 1-[4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one?
1-[4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one has a molecular weight of 350.42 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one is sourced from PubChem (CID 120748028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).