N-cyclohexyl-1-(3,4,5-trifluorophenyl)imidazol-2-amine

C15H16F3N3 — CID 106570813

IUPACN-cyclohexyl-1-(3,4,5-trifluorophenyl)imidazol-2-amine
SMILESFc1cc(-n2ccnc2NC2CCCCC2)cc(F)c1F
InChIInChI=1S/C15H16F3N3/c16-12-8-11(9-13(17)14(12)18)21-7-6-19-15(21)20-10-4-2-1-3-5-10/h6-10H,1-5H2,(H,19,20)
InChIKeyKSSWGGFNOPXYHV-UHFFFAOYSA-N
MW295.31 g/mol
LogP4.03
Rot. Bonds3

About N-cyclohexyl-1-(3,4,5-trifluorophenyl)imidazol-2-amine

N-cyclohexyl-1-(3,4,5-trifluorophenyl)imidazol-2-amine (PubChem CID 106570813) has the molecular formula C15H16F3N3 and a molecular weight of 295.31 g/mol. Its IUPAC name is N-cyclohexyl-1-(3,4,5-trifluorophenyl)imidazol-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-1-(3,4,5-trifluorophenyl)imidazol-2-amine
PubChem CID106570813
Molecular FormulaC15H16F3N3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC NameN-cyclohexyl-1-(3,4,5-trifluorophenyl)imidazol-2-amine
SMILESFc1cc(-n2ccnc2NC2CCCCC2)cc(F)c1F
InChIInChI=1S/C15H16F3N3/c16-12-8-11(9-13(17)14(12)18)21-7-6-19-15(21)20-10-4-2-1-3-5-10/h6-10H,1-5H2,(H,19,20)
InChIKeyKSSWGGFNOPXYHV-UHFFFAOYSA-N
XLogP4.03
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyl-1-(3,5-dichlorophenyl)imidazol-2-amine
CID 106557230
1-(3-bromo-4-fluorophenyl)-N-cyclopentylimidazol-2-amine
CID 106581538
N-cycloheptyl-1-phenylimidazol-2-amine
CID 106561276
N-cyclopentyl-1-(3,4-dimethylphenyl)imidazol-2-amine
CID 106560237
N-cyclohexyl-3,4,5-trifluoroaniline
CID 62810275
N-cyclopentyl-1-(3-methylphenyl)imidazol-2-amine
CID 106560185
N-cyclopentyl-1-(3-iodophenyl)imidazol-2-amine
CID 106554214
N-cyclohexyl-1-(3-fluoro-2-methylphenyl)imidazol-2-amine
CID 106564061
1-(2-chloro-4-fluorophenyl)-N-cyclopentylimidazol-2-amine
CID 106554110
1-(4-bromo-5-fluoro-2-methylphenyl)-N-cyclopentylimidazol-2-amine
CID 106582277
N-cyclohexyl-1-(4-methoxy-3-methylphenyl)imidazol-2-amine
CID 106564117
1-(4-chloro-3-methoxyphenyl)-N-cyclohexylimidazol-2-amine
CID 107623823

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(3,4,5-trifluorophenyl)imidazol-2-amine?
The IUPAC name of N-cyclohexyl-1-(3,4,5-trifluorophenyl)imidazol-2-amine (CID 106570813) is N-cyclohexyl-1-(3,4,5-trifluorophenyl)imidazol-2-amine.
What is the SMILES notation for N-cyclohexyl-1-(3,4,5-trifluorophenyl)imidazol-2-amine?
The canonical SMILES for N-cyclohexyl-1-(3,4,5-trifluorophenyl)imidazol-2-amine is Fc1cc(-n2ccnc2NC2CCCCC2)cc(F)c1F.
What is the InChIKey of N-cyclohexyl-1-(3,4,5-trifluorophenyl)imidazol-2-amine?
The InChIKey is KSSWGGFNOPXYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3/c16-12-8-11(9-13(17)14(12)18)21-7-6-19-15(21)20-10-4-2-1-3-5-10/h6-10H,1-5H2,(H,19,20).
What are the key properties of N-cyclohexyl-1-(3,4,5-trifluorophenyl)imidazol-2-amine?
N-cyclohexyl-1-(3,4,5-trifluorophenyl)imidazol-2-amine has a molecular weight of 295.31 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(3,4,5-trifluorophenyl)imidazol-2-amine is sourced from PubChem (CID 106570813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).