N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide

C11H16F3N3O2 — CID 81257025

IUPACN-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)n1ccnc1
InChIInChI=1S/C11H16F3N3O2/c1-2-19-7-3-5-16(8-11(12,13)14)10(18)17-6-4-15-9-17/h4,6,9H,2-3,5,7-8H2,1H3
InChIKeyIIZBYUMTOJSLIL-UHFFFAOYSA-N
MW279.26 g/mol
LogP2.14
Rot. Bonds6

About N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide

N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide (PubChem CID 81257025) has the molecular formula C11H16F3N3O2 and a molecular weight of 279.26 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide
PubChem CID81257025
Molecular FormulaC11H16F3N3O2
Molecular Weight279.26 g/mol
Exact Mass279.12
IUPAC NameN-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)n1ccnc1
InChIInChI=1S/C11H16F3N3O2/c1-2-19-7-3-5-16(8-11(12,13)14)10(18)17-6-4-15-9-17/h4,6,9H,2-3,5,7-8H2,1H3
InChIKeyIIZBYUMTOJSLIL-UHFFFAOYSA-N
XLogP2.14
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide (CID 81257025) is N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide is CCOCCCN(CC(F)(F)F)C(=O)n1ccnc1.
What is the InChIKey of N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide?
The InChIKey is IIZBYUMTOJSLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O2/c1-2-19-7-3-5-16(8-11(12,13)14)10(18)17-6-4-15-9-17/h4,6,9H,2-3,5,7-8H2,1H3.
What are the key properties of N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide?
N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide has a molecular weight of 279.26 g/mol, XLogP of 2.14, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide is sourced from PubChem (CID 81257025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).