1-cyclopentyl-N-(2,6-dichloro-4-fluorophenyl)-4-methylimidazol-2-amine

C15H16Cl2FN3 — CID 106578790

IUPAC1-cyclopentyl-N-(2,6-dichloro-4-fluorophenyl)-4-methylimidazol-2-amine
SMILESCc1cn(C2CCCC2)c(Nc2c(Cl)cc(F)cc2Cl)n1
InChIInChI=1S/C15H16Cl2FN3/c1-9-8-21(11-4-2-3-5-11)15(19-9)20-14-12(16)6-10(18)7-13(14)17/h6-8,11H,2-5H2,1H3,(H,19,20)
InChIKeyCFKKEKUHFSGBAF-UHFFFAOYSA-N
MW328.22 g/mol
LogP5.50
Rot. Bonds3

About 1-cyclopentyl-N-(2,6-dichloro-4-fluorophenyl)-4-methylimidazol-2-amine

1-cyclopentyl-N-(2,6-dichloro-4-fluorophenyl)-4-methylimidazol-2-amine (PubChem CID 106578790) has the molecular formula C15H16Cl2FN3 and a molecular weight of 328.22 g/mol. Its IUPAC name is 1-cyclopentyl-N-(2,6-dichloro-4-fluorophenyl)-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-cyclopentyl-N-(2,6-dichloro-4-fluorophenyl)-4-methylimidazol-2-amine
PubChem CID106578790
Molecular FormulaC15H16Cl2FN3
Molecular Weight328.22 g/mol
Exact Mass327.07
IUPAC Name1-cyclopentyl-N-(2,6-dichloro-4-fluorophenyl)-4-methylimidazol-2-amine
SMILESCc1cn(C2CCCC2)c(Nc2c(Cl)cc(F)cc2Cl)n1
InChIInChI=1S/C15H16Cl2FN3/c1-9-8-21(11-4-2-3-5-11)15(19-9)20-14-12(16)6-10(18)7-13(14)17/h6-8,11H,2-5H2,1H3,(H,19,20)
InChIKeyCFKKEKUHFSGBAF-UHFFFAOYSA-N
XLogP5.50
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.22
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-(2,6-dichloro-4-fluorophenyl)-4-methylimidazol-2-amine?
The IUPAC name of 1-cyclopentyl-N-(2,6-dichloro-4-fluorophenyl)-4-methylimidazol-2-amine (CID 106578790) is 1-cyclopentyl-N-(2,6-dichloro-4-fluorophenyl)-4-methylimidazol-2-amine.
What is the SMILES notation for 1-cyclopentyl-N-(2,6-dichloro-4-fluorophenyl)-4-methylimidazol-2-amine?
The canonical SMILES for 1-cyclopentyl-N-(2,6-dichloro-4-fluorophenyl)-4-methylimidazol-2-amine is Cc1cn(C2CCCC2)c(Nc2c(Cl)cc(F)cc2Cl)n1.
What is the InChIKey of 1-cyclopentyl-N-(2,6-dichloro-4-fluorophenyl)-4-methylimidazol-2-amine?
The InChIKey is CFKKEKUHFSGBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2FN3/c1-9-8-21(11-4-2-3-5-11)15(19-9)20-14-12(16)6-10(18)7-13(14)17/h6-8,11H,2-5H2,1H3,(H,19,20).
What are the key properties of 1-cyclopentyl-N-(2,6-dichloro-4-fluorophenyl)-4-methylimidazol-2-amine?
1-cyclopentyl-N-(2,6-dichloro-4-fluorophenyl)-4-methylimidazol-2-amine has a molecular weight of 328.22 g/mol, XLogP of 5.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-(2,6-dichloro-4-fluorophenyl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106578790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).