2-imidazol-1-yl-N-[(3,4,5-trifluorophenyl)methyl]cyclopentan-1-amine

C15H16F3N3 — CID 63051722

IUPAC2-imidazol-1-yl-N-[(3,4,5-trifluorophenyl)methyl]cyclopentan-1-amine
SMILESFc1cc(CNC2CCCC2n2ccnc2)cc(F)c1F
InChIInChI=1S/C15H16F3N3/c16-11-6-10(7-12(17)15(11)18)8-20-13-2-1-3-14(13)21-5-4-19-9-21/h4-7,9,13-14,20H,1-3,8H2
InChIKeyYJGPJLOTACHFPL-UHFFFAOYSA-N
MW295.31 g/mol
LogP3.18
Rot. Bonds4

About 2-imidazol-1-yl-N-[(3,4,5-trifluorophenyl)methyl]cyclopentan-1-amine

2-imidazol-1-yl-N-[(3,4,5-trifluorophenyl)methyl]cyclopentan-1-amine (PubChem CID 63051722) has the molecular formula C15H16F3N3 and a molecular weight of 295.31 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-[(3,4,5-trifluorophenyl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-imidazol-1-yl-N-[(3,4,5-trifluorophenyl)methyl]cyclopentan-1-amine
PubChem CID63051722
Molecular FormulaC15H16F3N3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC Name2-imidazol-1-yl-N-[(3,4,5-trifluorophenyl)methyl]cyclopentan-1-amine
SMILESFc1cc(CNC2CCCC2n2ccnc2)cc(F)c1F
InChIInChI=1S/C15H16F3N3/c16-11-6-10(7-12(17)15(11)18)8-20-13-2-1-3-14(13)21-5-4-19-9-21/h4-7,9,13-14,20H,1-3,8H2
InChIKeyYJGPJLOTACHFPL-UHFFFAOYSA-N
XLogP3.18
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 53.18
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-(furan-3-ylmethyl)-2-imidazol-1-ylcyclopentan-1-amine
CID 63204637
2-imidazol-1-yl-N-[(1-methylpyrrol-3-yl)methyl]cyclopentan-1-amine
CID 66398331
2-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]cyclopentan-1-amine
CID 43734301
2-imidazol-1-yl-N-[(3-methoxyphenyl)methyl]cyclopentan-1-amine
CID 43734304
2-imidazol-1-yl-N-(2-methylpropyl)cyclopentan-1-amine
CID 43734339
2-imidazol-1-yl-N-[(2-methylphenyl)methyl]cyclopentan-1-amine
CID 43734309
N-[(2-bromophenyl)methyl]-2-imidazol-1-ylcyclopentan-1-amine
CID 43734382
N-butyl-2-imidazol-1-ylcyclopentan-1-amine
CID 43734458
N-[(5-ethylthiophen-2-yl)methyl]-2-imidazol-1-ylcyclopentan-1-amine
CID 55062118
N-[(5-ethylfuran-2-yl)methyl]-2-imidazol-1-ylcyclopentan-1-amine
CID 62345276
2-imidazol-1-yl-N-(2-methylbutyl)cyclopentan-1-amine
CID 43734275
N-(2,2-dimethoxyethyl)-2-imidazol-1-ylcyclopentan-1-amine
CID 55231874

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N-[(3,4,5-trifluorophenyl)methyl]cyclopentan-1-amine?
The IUPAC name of 2-imidazol-1-yl-N-[(3,4,5-trifluorophenyl)methyl]cyclopentan-1-amine (CID 63051722) is 2-imidazol-1-yl-N-[(3,4,5-trifluorophenyl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 2-imidazol-1-yl-N-[(3,4,5-trifluorophenyl)methyl]cyclopentan-1-amine?
The canonical SMILES for 2-imidazol-1-yl-N-[(3,4,5-trifluorophenyl)methyl]cyclopentan-1-amine is Fc1cc(CNC2CCCC2n2ccnc2)cc(F)c1F.
What is the InChIKey of 2-imidazol-1-yl-N-[(3,4,5-trifluorophenyl)methyl]cyclopentan-1-amine?
The InChIKey is YJGPJLOTACHFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3/c16-11-6-10(7-12(17)15(11)18)8-20-13-2-1-3-14(13)21-5-4-19-9-21/h4-7,9,13-14,20H,1-3,8H2.
What are the key properties of 2-imidazol-1-yl-N-[(3,4,5-trifluorophenyl)methyl]cyclopentan-1-amine?
2-imidazol-1-yl-N-[(3,4,5-trifluorophenyl)methyl]cyclopentan-1-amine has a molecular weight of 295.31 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-[(3,4,5-trifluorophenyl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 63051722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).