N-cyclopentyl-1-(3,5-dichloro-4-fluorophenyl)-4-methylimidazol-2-amine

C15H16Cl2FN3 — CID 107581397

IUPACN-cyclopentyl-1-(3,5-dichloro-4-fluorophenyl)-4-methylimidazol-2-amine
SMILESCc1cn(-c2cc(Cl)c(F)c(Cl)c2)c(NC2CCCC2)n1
InChIInChI=1S/C15H16Cl2FN3/c1-9-8-21(11-6-12(16)14(18)13(17)7-11)15(19-9)20-10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H,19,20)
InChIKeyVNPRVGHXFWUFLW-UHFFFAOYSA-N
MW328.22 g/mol
LogP4.98
Rot. Bonds3

About N-cyclopentyl-1-(3,5-dichloro-4-fluorophenyl)-4-methylimidazol-2-amine

N-cyclopentyl-1-(3,5-dichloro-4-fluorophenyl)-4-methylimidazol-2-amine (PubChem CID 107581397) has the molecular formula C15H16Cl2FN3 and a molecular weight of 328.22 g/mol. Its IUPAC name is N-cyclopentyl-1-(3,5-dichloro-4-fluorophenyl)-4-methylimidazol-2-amine.

Molecular Properties

Compound NameN-cyclopentyl-1-(3,5-dichloro-4-fluorophenyl)-4-methylimidazol-2-amine
PubChem CID107581397
Molecular FormulaC15H16Cl2FN3
Molecular Weight328.22 g/mol
Exact Mass327.07
IUPAC NameN-cyclopentyl-1-(3,5-dichloro-4-fluorophenyl)-4-methylimidazol-2-amine
SMILESCc1cn(-c2cc(Cl)c(F)c(Cl)c2)c(NC2CCCC2)n1
InChIInChI=1S/C15H16Cl2FN3/c1-9-8-21(11-6-12(16)14(18)13(17)7-11)15(19-9)20-10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H,19,20)
InChIKeyVNPRVGHXFWUFLW-UHFFFAOYSA-N
XLogP4.98
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.22
LogP ≤ 54.98
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

1-(3,5-dichloro-4-fluorophenyl)-N,4-dimethylimidazol-2-amine
CID 107581408
1-(4-chloro-2-fluorophenyl)-N-cyclopentyl-4-methylimidazol-2-amine
CID 106568966
1-(3-chlorophenyl)-N-cyclohexyl-4-methylimidazol-2-amine
CID 106558404
1-(2-chloro-4-methylphenyl)-N-cyclopentyl-4-methylimidazol-2-amine
CID 106560891
1-(4-bromophenyl)-N-cyclopentyl-4-methylimidazol-2-amine
CID 106558608
N-cyclohexyl-4-methyl-1-(1-methylpyrazol-4-yl)imidazol-2-amine
CID 106562135
N-cyclohexyl-1-(3-iodophenyl)-4-methylimidazol-2-amine
CID 106554243
1-(3-bromophenyl)-N-cyclohexyl-4-methylimidazol-2-amine
CID 106558666
N-cyclohexyl-1-(5-fluoro-2-methylphenyl)-4-methylimidazol-2-amine
CID 106559285
1-(5-bromo-2,4-difluorophenyl)-N-cyclopentyl-4-methylimidazol-2-amine
CID 106583046
N-cyclopentyl-1-(3-ethoxyphenyl)-4-methylimidazol-2-amine
CID 106566756
N-cyclopropyl-4-methyl-1-(2,3,5-trifluorophenyl)imidazol-2-amine
CID 106570979

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-(3,5-dichloro-4-fluorophenyl)-4-methylimidazol-2-amine?
The IUPAC name of N-cyclopentyl-1-(3,5-dichloro-4-fluorophenyl)-4-methylimidazol-2-amine (CID 107581397) is N-cyclopentyl-1-(3,5-dichloro-4-fluorophenyl)-4-methylimidazol-2-amine.
What is the SMILES notation for N-cyclopentyl-1-(3,5-dichloro-4-fluorophenyl)-4-methylimidazol-2-amine?
The canonical SMILES for N-cyclopentyl-1-(3,5-dichloro-4-fluorophenyl)-4-methylimidazol-2-amine is Cc1cn(-c2cc(Cl)c(F)c(Cl)c2)c(NC2CCCC2)n1.
What is the InChIKey of N-cyclopentyl-1-(3,5-dichloro-4-fluorophenyl)-4-methylimidazol-2-amine?
The InChIKey is VNPRVGHXFWUFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2FN3/c1-9-8-21(11-6-12(16)14(18)13(17)7-11)15(19-9)20-10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H,19,20).
What are the key properties of N-cyclopentyl-1-(3,5-dichloro-4-fluorophenyl)-4-methylimidazol-2-amine?
N-cyclopentyl-1-(3,5-dichloro-4-fluorophenyl)-4-methylimidazol-2-amine has a molecular weight of 328.22 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-(3,5-dichloro-4-fluorophenyl)-4-methylimidazol-2-amine is sourced from PubChem (CID 107581397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).