1-cyclopentyl-N-(4,4,4-trifluorobutyl)imidazol-2-amine

C12H18F3N3 — CID 106579149

IUPAC1-cyclopentyl-N-(4,4,4-trifluorobutyl)imidazol-2-amine
SMILESFC(F)(F)CCCNc1nccn1C1CCCC1
InChIInChI=1S/C12H18F3N3/c13-12(14,15)6-3-7-16-11-17-8-9-18(11)10-4-1-2-5-10/h8-10H,1-7H2,(H,16,17)
InChIKeyLAYPDOGZQPNFIJ-UHFFFAOYSA-N
MW261.29 g/mol
LogP3.75
Rot. Bonds5

About 1-cyclopentyl-N-(4,4,4-trifluorobutyl)imidazol-2-amine

1-cyclopentyl-N-(4,4,4-trifluorobutyl)imidazol-2-amine (PubChem CID 106579149) has the molecular formula C12H18F3N3 and a molecular weight of 261.29 g/mol. Its IUPAC name is 1-cyclopentyl-N-(4,4,4-trifluorobutyl)imidazol-2-amine.

Molecular Properties

Compound Name1-cyclopentyl-N-(4,4,4-trifluorobutyl)imidazol-2-amine
PubChem CID106579149
Molecular FormulaC12H18F3N3
Molecular Weight261.29 g/mol
Exact Mass261.15
IUPAC Name1-cyclopentyl-N-(4,4,4-trifluorobutyl)imidazol-2-amine
SMILESFC(F)(F)CCCNc1nccn1C1CCCC1
InChIInChI=1S/C12H18F3N3/c13-12(14,15)6-3-7-16-11-17-8-9-18(11)10-4-1-2-5-10/h8-10H,1-7H2,(H,16,17)
InChIKeyLAYPDOGZQPNFIJ-UHFFFAOYSA-N
XLogP3.75
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopentyl-N-(2-cyclopropylethyl)imidazol-2-amine
CID 106575827
N-butyl-1-cyclobutylimidazol-2-amine
CID 106571396
1-cyclohexyl-N-(2-cyclopropylethyl)imidazol-2-amine
CID 106575828
1-cycloheptyl-N-(3-ethoxypropyl)imidazol-2-amine
CID 106561258
1-cyclopentyl-N-[2-(4-methylcyclohexyl)ethyl]imidazol-2-amine
CID 106574332
1-cyclopentyl-N-(2-piperidin-1-ylethyl)imidazol-2-amine
CID 106565073
1-cyclopentyl-N-(2-methylsulfonylethyl)imidazol-2-amine
CID 106563475
1-cyclopropyl-N-propylimidazol-2-amine
CID 106554744
1-cyclohexyl-N-(2-imidazol-1-ylethyl)imidazol-2-amine
CID 106569297
1-cyclopentyl-N-(thian-2-ylmethyl)imidazol-2-amine
CID 106577148
N-butyl-1-(3-methylcyclohexyl)imidazol-2-amine
CID 106561726
1-cyclopentyl-N-(2,3-dimethylbutyl)imidazol-2-amine
CID 106575250

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-(4,4,4-trifluorobutyl)imidazol-2-amine?
The IUPAC name of 1-cyclopentyl-N-(4,4,4-trifluorobutyl)imidazol-2-amine (CID 106579149) is 1-cyclopentyl-N-(4,4,4-trifluorobutyl)imidazol-2-amine.
What is the SMILES notation for 1-cyclopentyl-N-(4,4,4-trifluorobutyl)imidazol-2-amine?
The canonical SMILES for 1-cyclopentyl-N-(4,4,4-trifluorobutyl)imidazol-2-amine is FC(F)(F)CCCNc1nccn1C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-(4,4,4-trifluorobutyl)imidazol-2-amine?
The InChIKey is LAYPDOGZQPNFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3/c13-12(14,15)6-3-7-16-11-17-8-9-18(11)10-4-1-2-5-10/h8-10H,1-7H2,(H,16,17).
What are the key properties of 1-cyclopentyl-N-(4,4,4-trifluorobutyl)imidazol-2-amine?
1-cyclopentyl-N-(4,4,4-trifluorobutyl)imidazol-2-amine has a molecular weight of 261.29 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-(4,4,4-trifluorobutyl)imidazol-2-amine is sourced from PubChem (CID 106579149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).