N-(3-bicyclo[3.1.0]hexanyl)-4-oxo-3-(3,3,3-trifluoropropyl)imidazolidine-1-carboxamide

C13H18F3N3O2 — CID 128915846

IUPACN-(3-bicyclo[3.1.0]hexanyl)-4-oxo-3-(3,3,3-trifluoropropyl)imidazolidine-1-carboxamide
SMILESO=C1CN(C(=O)NC2CC3CC3C2)CN1CCC(F)(F)F
InChIInChI=1S/C13H18F3N3O2/c14-13(15,16)1-2-18-7-19(6-11(18)20)12(21)17-10-4-8-3-9(8)5-10/h8-10H,1-7H2,(H,17,21)
InChIKeyOYTBZNUCEVFNLT-UHFFFAOYSA-N
MW305.30 g/mol
LogP1.55
Rot. Bonds3

About N-(3-bicyclo[3.1.0]hexanyl)-4-oxo-3-(3,3,3-trifluoropropyl)imidazolidine-1-carboxamide

N-(3-bicyclo[3.1.0]hexanyl)-4-oxo-3-(3,3,3-trifluoropropyl)imidazolidine-1-carboxamide (PubChem CID 128915846) has the molecular formula C13H18F3N3O2 and a molecular weight of 305.30 g/mol. Its IUPAC name is N-(3-bicyclo[3.1.0]hexanyl)-4-oxo-3-(3,3,3-trifluoropropyl)imidazolidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-bicyclo[3.1.0]hexanyl)-4-oxo-3-(3,3,3-trifluoropropyl)imidazolidine-1-carboxamide
PubChem CID128915846
Molecular FormulaC13H18F3N3O2
Molecular Weight305.30 g/mol
Exact Mass305.14
IUPAC NameN-(3-bicyclo[3.1.0]hexanyl)-4-oxo-3-(3,3,3-trifluoropropyl)imidazolidine-1-carboxamide
SMILESO=C1CN(C(=O)NC2CC3CC3C2)CN1CCC(F)(F)F
InChIInChI=1S/C13H18F3N3O2/c14-13(15,16)1-2-18-7-19(6-11(18)20)12(21)17-10-4-8-3-9(8)5-10/h8-10H,1-7H2,(H,17,21)
InChIKeyOYTBZNUCEVFNLT-UHFFFAOYSA-N
XLogP1.55
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-bicyclo[3.1.0]hexanyl)-4-oxo-3-(3,3,3-trifluoropropyl)imidazolidine-1-carboxamide?
The IUPAC name of N-(3-bicyclo[3.1.0]hexanyl)-4-oxo-3-(3,3,3-trifluoropropyl)imidazolidine-1-carboxamide (CID 128915846) is N-(3-bicyclo[3.1.0]hexanyl)-4-oxo-3-(3,3,3-trifluoropropyl)imidazolidine-1-carboxamide.
What is the SMILES notation for N-(3-bicyclo[3.1.0]hexanyl)-4-oxo-3-(3,3,3-trifluoropropyl)imidazolidine-1-carboxamide?
The canonical SMILES for N-(3-bicyclo[3.1.0]hexanyl)-4-oxo-3-(3,3,3-trifluoropropyl)imidazolidine-1-carboxamide is O=C1CN(C(=O)NC2CC3CC3C2)CN1CCC(F)(F)F.
What is the InChIKey of N-(3-bicyclo[3.1.0]hexanyl)-4-oxo-3-(3,3,3-trifluoropropyl)imidazolidine-1-carboxamide?
The InChIKey is OYTBZNUCEVFNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O2/c14-13(15,16)1-2-18-7-19(6-11(18)20)12(21)17-10-4-8-3-9(8)5-10/h8-10H,1-7H2,(H,17,21).
What are the key properties of N-(3-bicyclo[3.1.0]hexanyl)-4-oxo-3-(3,3,3-trifluoropropyl)imidazolidine-1-carboxamide?
N-(3-bicyclo[3.1.0]hexanyl)-4-oxo-3-(3,3,3-trifluoropropyl)imidazolidine-1-carboxamide has a molecular weight of 305.30 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bicyclo[3.1.0]hexanyl)-4-oxo-3-(3,3,3-trifluoropropyl)imidazolidine-1-carboxamide is sourced from PubChem (CID 128915846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).