1-benzyl-N-[(3-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide

C18H18FN3O2 — CID 134793531

IUPAC1-benzyl-N-[(3-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide
SMILESO=C(NCc1cccc(F)c1)C1CN(Cc2ccccc2)C(=O)N1
InChIInChI=1S/C18H18FN3O2/c19-15-8-4-7-14(9-15)10-20-17(23)16-12-22(18(24)21-16)11-13-5-2-1-3-6-13/h1-9,16H,10-12H2,(H,20,23)(H,21,24)
InChIKeyFHHOIMRWJYEHEA-UHFFFAOYSA-N
MW327.36 g/mol
LogP2.04
Rot. Bonds5

About 1-benzyl-N-[(3-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide

1-benzyl-N-[(3-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide (PubChem CID 134793531) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is 1-benzyl-N-[(3-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[(3-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide
PubChem CID134793531
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Name1-benzyl-N-[(3-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide
SMILESO=C(NCc1cccc(F)c1)C1CN(Cc2ccccc2)C(=O)N1
InChIInChI=1S/C18H18FN3O2/c19-15-8-4-7-14(9-15)10-20-17(23)16-12-22(18(24)21-16)11-13-5-2-1-3-6-13/h1-9,16H,10-12H2,(H,20,23)(H,21,24)
InChIKeyFHHOIMRWJYEHEA-UHFFFAOYSA-N
XLogP2.04
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(3-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of 1-benzyl-N-[(3-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide (CID 134793531) is 1-benzyl-N-[(3-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[(3-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[(3-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide is O=C(NCc1cccc(F)c1)C1CN(Cc2ccccc2)C(=O)N1.
What is the InChIKey of 1-benzyl-N-[(3-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide?
The InChIKey is FHHOIMRWJYEHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c19-15-8-4-7-14(9-15)10-20-17(23)16-12-22(18(24)21-16)11-13-5-2-1-3-6-13/h1-9,16H,10-12H2,(H,20,23)(H,21,24).
What are the key properties of 1-benzyl-N-[(3-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide?
1-benzyl-N-[(3-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide has a molecular weight of 327.36 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(3-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 134793531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).