1-cyclopentyl-N-(5-fluoro-2-methylphenyl)-4-methylimidazol-2-amine

C16H20FN3 — CID 106559274

IUPAC1-cyclopentyl-N-(5-fluoro-2-methylphenyl)-4-methylimidazol-2-amine
SMILESCc1cn(C2CCCC2)c(Nc2cc(F)ccc2C)n1
InChIInChI=1S/C16H20FN3/c1-11-7-8-13(17)9-15(11)19-16-18-12(2)10-20(16)14-5-3-4-6-14/h7-10,14H,3-6H2,1-2H3,(H,18,19)
InChIKeyUDKOQGAZQKQVHQ-UHFFFAOYSA-N
MW273.36 g/mol
LogP4.50
Rot. Bonds3

About 1-cyclopentyl-N-(5-fluoro-2-methylphenyl)-4-methylimidazol-2-amine

1-cyclopentyl-N-(5-fluoro-2-methylphenyl)-4-methylimidazol-2-amine (PubChem CID 106559274) has the molecular formula C16H20FN3 and a molecular weight of 273.36 g/mol. Its IUPAC name is 1-cyclopentyl-N-(5-fluoro-2-methylphenyl)-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-cyclopentyl-N-(5-fluoro-2-methylphenyl)-4-methylimidazol-2-amine
PubChem CID106559274
Molecular FormulaC16H20FN3
Molecular Weight273.36 g/mol
Exact Mass273.16
IUPAC Name1-cyclopentyl-N-(5-fluoro-2-methylphenyl)-4-methylimidazol-2-amine
SMILESCc1cn(C2CCCC2)c(Nc2cc(F)ccc2C)n1
InChIInChI=1S/C16H20FN3/c1-11-7-8-13(17)9-15(11)19-16-18-12(2)10-20(16)14-5-3-4-6-14/h7-10,14H,3-6H2,1-2H3,(H,18,19)
InChIKeyUDKOQGAZQKQVHQ-UHFFFAOYSA-N
XLogP4.50
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-(5-fluoro-2-methylphenyl)-4-methylimidazol-2-amine?
The IUPAC name of 1-cyclopentyl-N-(5-fluoro-2-methylphenyl)-4-methylimidazol-2-amine (CID 106559274) is 1-cyclopentyl-N-(5-fluoro-2-methylphenyl)-4-methylimidazol-2-amine.
What is the SMILES notation for 1-cyclopentyl-N-(5-fluoro-2-methylphenyl)-4-methylimidazol-2-amine?
The canonical SMILES for 1-cyclopentyl-N-(5-fluoro-2-methylphenyl)-4-methylimidazol-2-amine is Cc1cn(C2CCCC2)c(Nc2cc(F)ccc2C)n1.
What is the InChIKey of 1-cyclopentyl-N-(5-fluoro-2-methylphenyl)-4-methylimidazol-2-amine?
The InChIKey is UDKOQGAZQKQVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3/c1-11-7-8-13(17)9-15(11)19-16-18-12(2)10-20(16)14-5-3-4-6-14/h7-10,14H,3-6H2,1-2H3,(H,18,19).
What are the key properties of 1-cyclopentyl-N-(5-fluoro-2-methylphenyl)-4-methylimidazol-2-amine?
1-cyclopentyl-N-(5-fluoro-2-methylphenyl)-4-methylimidazol-2-amine has a molecular weight of 273.36 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-(5-fluoro-2-methylphenyl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106559274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).