1-(2-aminoethyl)-N-[2-(trifluoromethyl)cyclohexyl]imidazole-4-carboxamide

C13H19F3N4O — CID 107496671

IUPAC1-(2-aminoethyl)-N-[2-(trifluoromethyl)cyclohexyl]imidazole-4-carboxamide
SMILESNCCn1cnc(C(=O)NC2CCCCC2C(F)(F)F)c1
InChIInChI=1S/C13H19F3N4O/c14-13(15,16)9-3-1-2-4-10(9)19-12(21)11-7-20(6-5-17)8-18-11/h7-10H,1-6,17H2,(H,19,21)
InChIKeyIHSUCVGEJTZAMK-UHFFFAOYSA-N
MW304.32 g/mol
LogP1.69
Rot. Bonds4

About 1-(2-aminoethyl)-N-[2-(trifluoromethyl)cyclohexyl]imidazole-4-carboxamide

1-(2-aminoethyl)-N-[2-(trifluoromethyl)cyclohexyl]imidazole-4-carboxamide (PubChem CID 107496671) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-[2-(trifluoromethyl)cyclohexyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-[2-(trifluoromethyl)cyclohexyl]imidazole-4-carboxamide
PubChem CID107496671
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC Name1-(2-aminoethyl)-N-[2-(trifluoromethyl)cyclohexyl]imidazole-4-carboxamide
SMILESNCCn1cnc(C(=O)NC2CCCCC2C(F)(F)F)c1
InChIInChI=1S/C13H19F3N4O/c14-13(15,16)9-3-1-2-4-10(9)19-12(21)11-7-20(6-5-17)8-18-11/h7-10H,1-6,17H2,(H,19,21)
InChIKeyIHSUCVGEJTZAMK-UHFFFAOYSA-N
XLogP1.69
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-aminoethyl)-N-(2-tert-butylcyclohexyl)imidazole-4-carboxamide
CID 107496221
1-(2-aminoethyl)-N-(2-ethylcyclohexyl)imidazole-4-carboxamide
CID 107496463
1-(2-aminoethyl)-N-(2-methylcyclopropyl)imidazole-4-carboxamide
CID 107498238
4-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 107497522
1-(2-aminoethyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]imidazole-4-carboxamide
CID 107852911
1-(2-aminoethyl)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)imidazole-4-carboxamide
CID 107499437
1-[1-(2-aminoethyl)imidazol-4-yl]-2-cyclopentylethanone
CID 107501388
1-(2-aminoethyl)-N-[(1-methylpiperidin-4-yl)methyl]imidazole-4-carboxamide
CID 107498035
1-(2-aminoethyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]imidazole-4-carboxamide
CID 107865602
2-cyclobutylethyl 1-(2-aminoethyl)imidazole-4-carboxylate
CID 106202988
6-bromo-N-[2-(trifluoromethyl)cyclohexyl]pyridine-2-carboxamide
CID 103874213
1-(2-aminoethyl)-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]imidazole-4-carboxamide
CID 107496209

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-[2-(trifluoromethyl)cyclohexyl]imidazole-4-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-N-[2-(trifluoromethyl)cyclohexyl]imidazole-4-carboxamide (CID 107496671) is 1-(2-aminoethyl)-N-[2-(trifluoromethyl)cyclohexyl]imidazole-4-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-[2-(trifluoromethyl)cyclohexyl]imidazole-4-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-N-[2-(trifluoromethyl)cyclohexyl]imidazole-4-carboxamide is NCCn1cnc(C(=O)NC2CCCCC2C(F)(F)F)c1.
What is the InChIKey of 1-(2-aminoethyl)-N-[2-(trifluoromethyl)cyclohexyl]imidazole-4-carboxamide?
The InChIKey is IHSUCVGEJTZAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O/c14-13(15,16)9-3-1-2-4-10(9)19-12(21)11-7-20(6-5-17)8-18-11/h7-10H,1-6,17H2,(H,19,21).
What are the key properties of 1-(2-aminoethyl)-N-[2-(trifluoromethyl)cyclohexyl]imidazole-4-carboxamide?
1-(2-aminoethyl)-N-[2-(trifluoromethyl)cyclohexyl]imidazole-4-carboxamide has a molecular weight of 304.32 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-[2-(trifluoromethyl)cyclohexyl]imidazole-4-carboxamide is sourced from PubChem (CID 107496671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).