1-(4-chloro-2-fluorophenyl)-N-cyclopentyl-4-methylimidazol-2-amine

C15H17ClFN3 — CID 106568966

IUPAC1-(4-chloro-2-fluorophenyl)-N-cyclopentyl-4-methylimidazol-2-amine
SMILESCc1cn(-c2ccc(Cl)cc2F)c(NC2CCCC2)n1
InChIInChI=1S/C15H17ClFN3/c1-10-9-20(14-7-6-11(16)8-13(14)17)15(18-10)19-12-4-2-3-5-12/h6-9,12H,2-5H2,1H3,(H,18,19)
InChIKeyIJRMAHWTLJVVNS-UHFFFAOYSA-N
MW293.77 g/mol
LogP4.33
Rot. Bonds3

About 1-(4-chloro-2-fluorophenyl)-N-cyclopentyl-4-methylimidazol-2-amine

1-(4-chloro-2-fluorophenyl)-N-cyclopentyl-4-methylimidazol-2-amine (PubChem CID 106568966) has the molecular formula C15H17ClFN3 and a molecular weight of 293.77 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-N-cyclopentyl-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-N-cyclopentyl-4-methylimidazol-2-amine
PubChem CID106568966
Molecular FormulaC15H17ClFN3
Molecular Weight293.77 g/mol
Exact Mass293.11
IUPAC Name1-(4-chloro-2-fluorophenyl)-N-cyclopentyl-4-methylimidazol-2-amine
SMILESCc1cn(-c2ccc(Cl)cc2F)c(NC2CCCC2)n1
InChIInChI=1S/C15H17ClFN3/c1-10-9-20(14-7-6-11(16)8-13(14)17)15(18-10)19-12-4-2-3-5-12/h6-9,12H,2-5H2,1H3,(H,18,19)
InChIKeyIJRMAHWTLJVVNS-UHFFFAOYSA-N
XLogP4.33
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-N-cyclopentyl-4-methylimidazol-2-amine
CID 106557711
1-(2-chloro-4-methylphenyl)-N-cyclopentyl-4-methylimidazol-2-amine
CID 106560891
N-cyclopropyl-1-(2,5-dichlorophenyl)-4-methylimidazol-2-amine
CID 106583716
1-(5-bromo-2,4-difluorophenyl)-N-cyclopentyl-4-methylimidazol-2-amine
CID 106583046
1-(3-chlorophenyl)-N-cyclohexyl-4-methylimidazol-2-amine
CID 106558404
N-cyclohexyl-1-(5-fluoro-2-methylphenyl)-4-methylimidazol-2-amine
CID 106559285
N-cyclopentyl-1-(3,5-dichloro-4-fluorophenyl)-4-methylimidazol-2-amine
CID 107581397
N-cyclopropyl-4-methyl-1-(2,3,5-trifluorophenyl)imidazol-2-amine
CID 106570979
N-cyclopentyl-1-(2-iodophenyl)-4-methylimidazol-2-amine
CID 106554290
1-[(3-chloro-4-fluorophenyl)methyl]-N-cyclopentyl-4-methylimidazol-2-amine
CID 106570212
1-(4-bromophenyl)-N-cyclopentyl-4-methylimidazol-2-amine
CID 106558608
1-(3-bromophenyl)-N-cyclohexyl-4-methylimidazol-2-amine
CID 106558666

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-N-cyclopentyl-4-methylimidazol-2-amine?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-N-cyclopentyl-4-methylimidazol-2-amine (CID 106568966) is 1-(4-chloro-2-fluorophenyl)-N-cyclopentyl-4-methylimidazol-2-amine.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-N-cyclopentyl-4-methylimidazol-2-amine?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-N-cyclopentyl-4-methylimidazol-2-amine is Cc1cn(-c2ccc(Cl)cc2F)c(NC2CCCC2)n1.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-N-cyclopentyl-4-methylimidazol-2-amine?
The InChIKey is IJRMAHWTLJVVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFN3/c1-10-9-20(14-7-6-11(16)8-13(14)17)15(18-10)19-12-4-2-3-5-12/h6-9,12H,2-5H2,1H3,(H,18,19).
What are the key properties of 1-(4-chloro-2-fluorophenyl)-N-cyclopentyl-4-methylimidazol-2-amine?
1-(4-chloro-2-fluorophenyl)-N-cyclopentyl-4-methylimidazol-2-amine has a molecular weight of 293.77 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-N-cyclopentyl-4-methylimidazol-2-amine is sourced from PubChem (CID 106568966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).