N-(cyclopentylmethyl)-4-oxo-3-(2,2,2-trifluoroethyl)imidazolidine-1-carboxamide

C12H18F3N3O2 — CID 159344857

IUPACN-(cyclopentylmethyl)-4-oxo-3-(2,2,2-trifluoroethyl)imidazolidine-1-carboxamide
SMILESO=C1CN(C(=O)NCC2CCCC2)CN1CC(F)(F)F
InChIInChI=1S/C12H18F3N3O2/c13-12(14,15)7-18-8-17(6-10(18)19)11(20)16-5-9-3-1-2-4-9/h9H,1-8H2,(H,16,20)
InChIKeyLGPBNNYGGTYEKE-UHFFFAOYSA-N
MW293.29 g/mol
LogP1.55
Rot. Bonds3

About N-(cyclopentylmethyl)-4-oxo-3-(2,2,2-trifluoroethyl)imidazolidine-1-carboxamide

N-(cyclopentylmethyl)-4-oxo-3-(2,2,2-trifluoroethyl)imidazolidine-1-carboxamide (PubChem CID 159344857) has the molecular formula C12H18F3N3O2 and a molecular weight of 293.29 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-4-oxo-3-(2,2,2-trifluoroethyl)imidazolidine-1-carboxamide.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-4-oxo-3-(2,2,2-trifluoroethyl)imidazolidine-1-carboxamide
PubChem CID159344857
Molecular FormulaC12H18F3N3O2
Molecular Weight293.29 g/mol
Exact Mass293.14
IUPAC NameN-(cyclopentylmethyl)-4-oxo-3-(2,2,2-trifluoroethyl)imidazolidine-1-carboxamide
SMILESO=C1CN(C(=O)NCC2CCCC2)CN1CC(F)(F)F
InChIInChI=1S/C12H18F3N3O2/c13-12(14,15)7-18-8-17(6-10(18)19)11(20)16-5-9-3-1-2-4-9/h9H,1-8H2,(H,16,20)
InChIKeyLGPBNNYGGTYEKE-UHFFFAOYSA-N
XLogP1.55
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
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-(cyclopentylmethyl)-4-oxo-3-(2,2,2-trifluoroethyl)imidazolidine-1-carboxamide?
The IUPAC name of N-(cyclopentylmethyl)-4-oxo-3-(2,2,2-trifluoroethyl)imidazolidine-1-carboxamide (CID 159344857) is N-(cyclopentylmethyl)-4-oxo-3-(2,2,2-trifluoroethyl)imidazolidine-1-carboxamide.
What is the SMILES notation for N-(cyclopentylmethyl)-4-oxo-3-(2,2,2-trifluoroethyl)imidazolidine-1-carboxamide?
The canonical SMILES for N-(cyclopentylmethyl)-4-oxo-3-(2,2,2-trifluoroethyl)imidazolidine-1-carboxamide is O=C1CN(C(=O)NCC2CCCC2)CN1CC(F)(F)F.
What is the InChIKey of N-(cyclopentylmethyl)-4-oxo-3-(2,2,2-trifluoroethyl)imidazolidine-1-carboxamide?
The InChIKey is LGPBNNYGGTYEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O2/c13-12(14,15)7-18-8-17(6-10(18)19)11(20)16-5-9-3-1-2-4-9/h9H,1-8H2,(H,16,20).
What are the key properties of N-(cyclopentylmethyl)-4-oxo-3-(2,2,2-trifluoroethyl)imidazolidine-1-carboxamide?
N-(cyclopentylmethyl)-4-oxo-3-(2,2,2-trifluoroethyl)imidazolidine-1-carboxamide has a molecular weight of 293.29 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-(cyclopentylmethyl)-4-oxo-3-(2,2,2-trifluoroethyl)imidazolidine-1-carboxamide is sourced from PubChem (CID 159344857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).