1-(2-aminoethyl)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)imidazole-4-carboxamide

C13H19F3N4O — CID 107496986

IUPAC1-(2-aminoethyl)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)imidazole-4-carboxamide
SMILESCC(C1CC1)N(CC(F)(F)F)C(=O)c1cn(CCN)cn1
InChIInChI=1S/C13H19F3N4O/c1-9(10-2-3-10)20(7-13(14,15)16)12(21)11-6-19(5-4-17)8-18-11/h6,8-10H,2-5,7,17H2,1H3
InChIKeyVADUMSZXULBILK-UHFFFAOYSA-N
MW304.32 g/mol
LogP1.64
Rot. Bonds6

About 1-(2-aminoethyl)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)imidazole-4-carboxamide

1-(2-aminoethyl)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)imidazole-4-carboxamide (PubChem CID 107496986) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)imidazole-4-carboxamide
PubChem CID107496986
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC Name1-(2-aminoethyl)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)imidazole-4-carboxamide
SMILESCC(C1CC1)N(CC(F)(F)F)C(=O)c1cn(CCN)cn1
InChIInChI=1S/C13H19F3N4O/c1-9(10-2-3-10)20(7-13(14,15)16)12(21)11-6-19(5-4-17)8-18-11/h6,8-10H,2-5,7,17H2,1H3
InChIKeyVADUMSZXULBILK-UHFFFAOYSA-N
XLogP1.64
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-aminoethyl)-N-(2,2-dimethylpropyl)-N-methylimidazole-4-carboxamide
CID 107498076
3,5-diamino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 61106090
1-(2-aminoethyl)-N-methyl-N-(2-propan-2-yloxyethyl)imidazole-4-carboxamide
CID 107499326
N-(1-cyclopropylethyl)-2,3-difluoro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 105380482
N-[(1R)-1-cyclopropylethyl]-6-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 95280380
N-(1-cyclopropylethyl)-4-fluoro-N-(2,2,2-trifluoroethyl)benzamide
CID 60715950
1-(2-aminoethyl)-N-(4-ethylcyclohexyl)-N-methylimidazole-4-carboxamide
CID 107497382
2-amino-4-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 61106833
3-[[1-(2-aminoethyl)imidazole-4-carbonyl]-ethylamino]-2-methylpropanoic acid
CID 107498349
1-(2-aminoethyl)-N-methyl-N-(oxan-4-ylmethyl)imidazole-4-carboxamide
CID 107498649
1-(2-aminoethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide
CID 107497882
1-(2-aminoethyl)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]imidazole-4-carboxamide
CID 107496920

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)imidazole-4-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)imidazole-4-carboxamide (CID 107496986) is 1-(2-aminoethyl)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)imidazole-4-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)imidazole-4-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)imidazole-4-carboxamide is CC(C1CC1)N(CC(F)(F)F)C(=O)c1cn(CCN)cn1.
What is the InChIKey of 1-(2-aminoethyl)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)imidazole-4-carboxamide?
The InChIKey is VADUMSZXULBILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O/c1-9(10-2-3-10)20(7-13(14,15)16)12(21)11-6-19(5-4-17)8-18-11/h6,8-10H,2-5,7,17H2,1H3.
What are the key properties of 1-(2-aminoethyl)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)imidazole-4-carboxamide?
1-(2-aminoethyl)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)imidazole-4-carboxamide has a molecular weight of 304.32 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)imidazole-4-carboxamide is sourced from PubChem (CID 107496986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).