1-[4-(2-bicyclo[2.2.1]heptanylamino)phenyl]imidazolidin-2-one

C16H21N3O — CID 61308981

IUPAC1-[4-(2-bicyclo[2.2.1]heptanylamino)phenyl]imidazolidin-2-one
SMILESO=C1NCCN1c1ccc(NC2CC3CCC2C3)cc1
InChIInChI=1S/C16H21N3O/c20-16-17-7-8-19(16)14-5-3-13(4-6-14)18-15-10-11-1-2-12(15)9-11/h3-6,11-12,15,18H,1-2,7-10H2,(H,17,20)
InChIKeyBWZUIESXOWOPMP-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.82
Rot. Bonds3

About 1-[4-(2-bicyclo[2.2.1]heptanylamino)phenyl]imidazolidin-2-one

1-[4-(2-bicyclo[2.2.1]heptanylamino)phenyl]imidazolidin-2-one (PubChem CID 61308981) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-[4-(2-bicyclo[2.2.1]heptanylamino)phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[4-(2-bicyclo[2.2.1]heptanylamino)phenyl]imidazolidin-2-one
PubChem CID61308981
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-[4-(2-bicyclo[2.2.1]heptanylamino)phenyl]imidazolidin-2-one
SMILESO=C1NCCN1c1ccc(NC2CC3CCC2C3)cc1
InChIInChI=1S/C16H21N3O/c20-16-17-7-8-19(16)14-5-3-13(4-6-14)18-15-10-11-1-2-12(15)9-11/h3-6,11-12,15,18H,1-2,7-10H2,(H,17,20)
InChIKeyBWZUIESXOWOPMP-UHFFFAOYSA-N
XLogP2.82
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-bicyclo[2.2.1]heptanylamino)phenyl]imidazolidin-2-one?
The IUPAC name of 1-[4-(2-bicyclo[2.2.1]heptanylamino)phenyl]imidazolidin-2-one (CID 61308981) is 1-[4-(2-bicyclo[2.2.1]heptanylamino)phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[4-(2-bicyclo[2.2.1]heptanylamino)phenyl]imidazolidin-2-one?
The canonical SMILES for 1-[4-(2-bicyclo[2.2.1]heptanylamino)phenyl]imidazolidin-2-one is O=C1NCCN1c1ccc(NC2CC3CCC2C3)cc1.
What is the InChIKey of 1-[4-(2-bicyclo[2.2.1]heptanylamino)phenyl]imidazolidin-2-one?
The InChIKey is BWZUIESXOWOPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c20-16-17-7-8-19(16)14-5-3-13(4-6-14)18-15-10-11-1-2-12(15)9-11/h3-6,11-12,15,18H,1-2,7-10H2,(H,17,20).
What are the key properties of 1-[4-(2-bicyclo[2.2.1]heptanylamino)phenyl]imidazolidin-2-one?
1-[4-(2-bicyclo[2.2.1]heptanylamino)phenyl]imidazolidin-2-one has a molecular weight of 271.36 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-bicyclo[2.2.1]heptanylamino)phenyl]imidazolidin-2-one is sourced from PubChem (CID 61308981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).