1-cyclopropyl-3-[2-(2,2,2-trifluoroethylamino)ethyl]imidazol-2-one

C10H14F3N3O — CID 80582779

IUPAC1-cyclopropyl-3-[2-(2,2,2-trifluoroethylamino)ethyl]imidazol-2-one
SMILESO=c1n(CCNCC(F)(F)F)ccn1C1CC1
InChIInChI=1S/C10H14F3N3O/c11-10(12,13)7-14-3-4-15-5-6-16(9(15)17)8-1-2-8/h5-6,8,14H,1-4,7H2
InChIKeyDLQMAXDNDRGZMN-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.14
Rot. Bonds5

About 1-cyclopropyl-3-[2-(2,2,2-trifluoroethylamino)ethyl]imidazol-2-one

1-cyclopropyl-3-[2-(2,2,2-trifluoroethylamino)ethyl]imidazol-2-one (PubChem CID 80582779) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is 1-cyclopropyl-3-[2-(2,2,2-trifluoroethylamino)ethyl]imidazol-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[2-(2,2,2-trifluoroethylamino)ethyl]imidazol-2-one
PubChem CID80582779
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name1-cyclopropyl-3-[2-(2,2,2-trifluoroethylamino)ethyl]imidazol-2-one
SMILESO=c1n(CCNCC(F)(F)F)ccn1C1CC1
InChIInChI=1S/C10H14F3N3O/c11-10(12,13)7-14-3-4-15-5-6-16(9(15)17)8-1-2-8/h5-6,8,14H,1-4,7H2
InChIKeyDLQMAXDNDRGZMN-UHFFFAOYSA-N
XLogP1.14
TPSA38.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(Z)-2-aminoethenyl]-1-(2,2-difluorocyclopropyl)-1-methylurea
CID 169929179
1-(3-Amino-1,1,1-trifluoropropan-2-yl)-3-ethylimidazol-2-one
CID 80578792
1-(3-Amino-1,1,1-trifluoropropan-2-yl)-3-propylimidazol-2-one
CID 80578953
1-(3-Amino-1,1,1-trifluoropropan-2-yl)-3-methylimidazol-2-one
CID 80579013
1-(3-Amino-1,1,1-trifluoropropan-2-yl)-3-propan-2-ylimidazol-2-one
CID 80579557
1-(3-Amino-1,1,1-trifluoropropan-2-yl)-3-cyclopropylimidazol-2-one
CID 80579731
1-Propyl-3-[2-(2,2,2-trifluoroethylamino)ethyl]imidazol-2-one
CID 80582357
1-Propan-2-yl-3-[2-(2,2,2-trifluoroethylamino)ethyl]imidazol-2-one
CID 80582363
1-Methyl-3-[2-(2,2,2-trifluoroethylamino)ethyl]imidazol-2-one
CID 80582401
1-Ethyl-3-[2-(2,2,2-trifluoroethylamino)ethyl]imidazol-2-one
CID 80582421
1-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-3-cyclopropylimidazol-2-one
CID 103366629
1-(2-Aminoethyl)-3-cyclopropyl-1-(2,2-difluoroethyl)urea
CID 107493730

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[2-(2,2,2-trifluoroethylamino)ethyl]imidazol-2-one?
The IUPAC name of 1-cyclopropyl-3-[2-(2,2,2-trifluoroethylamino)ethyl]imidazol-2-one (CID 80582779) is 1-cyclopropyl-3-[2-(2,2,2-trifluoroethylamino)ethyl]imidazol-2-one.
What is the SMILES notation for 1-cyclopropyl-3-[2-(2,2,2-trifluoroethylamino)ethyl]imidazol-2-one?
The canonical SMILES for 1-cyclopropyl-3-[2-(2,2,2-trifluoroethylamino)ethyl]imidazol-2-one is O=c1n(CCNCC(F)(F)F)ccn1C1CC1.
What is the InChIKey of 1-cyclopropyl-3-[2-(2,2,2-trifluoroethylamino)ethyl]imidazol-2-one?
The InChIKey is DLQMAXDNDRGZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c11-10(12,13)7-14-3-4-15-5-6-16(9(15)17)8-1-2-8/h5-6,8,14H,1-4,7H2.
What are the key properties of 1-cyclopropyl-3-[2-(2,2,2-trifluoroethylamino)ethyl]imidazol-2-one?
1-cyclopropyl-3-[2-(2,2,2-trifluoroethylamino)ethyl]imidazol-2-one has a molecular weight of 249.24 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[2-(2,2,2-trifluoroethylamino)ethyl]imidazol-2-one is sourced from PubChem (CID 80582779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).