1-(2-chloro-4-fluorophenyl)-N-cyclopentylimidazol-2-amine

C14H15ClFN3 — CID 106554110

IUPAC1-(2-chloro-4-fluorophenyl)-N-cyclopentylimidazol-2-amine
SMILESFc1ccc(-n2ccnc2NC2CCCC2)c(Cl)c1
InChIInChI=1S/C14H15ClFN3/c15-12-9-10(16)5-6-13(12)19-8-7-17-14(19)18-11-3-1-2-4-11/h5-9,11H,1-4H2,(H,17,18)
InChIKeyJOJUSMUGCCHLMV-UHFFFAOYSA-N
MW279.75 g/mol
LogP4.02
Rot. Bonds3

About 1-(2-chloro-4-fluorophenyl)-N-cyclopentylimidazol-2-amine

1-(2-chloro-4-fluorophenyl)-N-cyclopentylimidazol-2-amine (PubChem CID 106554110) has the molecular formula C14H15ClFN3 and a molecular weight of 279.75 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-N-cyclopentylimidazol-2-amine.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-N-cyclopentylimidazol-2-amine
PubChem CID106554110
Molecular FormulaC14H15ClFN3
Molecular Weight279.75 g/mol
Exact Mass279.09
IUPAC Name1-(2-chloro-4-fluorophenyl)-N-cyclopentylimidazol-2-amine
SMILESFc1ccc(-n2ccnc2NC2CCCC2)c(Cl)c1
InChIInChI=1S/C14H15ClFN3/c15-12-9-10(16)5-6-13(12)19-8-7-17-14(19)18-11-3-1-2-4-11/h5-9,11H,1-4H2,(H,17,18)
InChIKeyJOJUSMUGCCHLMV-UHFFFAOYSA-N
XLogP4.02
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.75
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-N-cyclohexylimidazol-2-amine
CID 106558771
N-cyclopropyl-1-(4-fluoro-2-methoxyphenyl)imidazol-2-amine
CID 106566452
1-(2-chloro-5-iodophenyl)-N-cyclopropylimidazol-2-amine
CID 114261820
N-cyclohexyl-1-(2,3-dichlorophenyl)imidazol-2-amine
CID 106560318
1-(3-chloro-2-methylphenyl)-N-cyclohexylimidazol-2-amine
CID 106556315
1-(5-chloro-2-methylphenyl)-N-cyclohexylimidazol-2-amine
CID 106560628
1-(2-chloro-5-methoxyphenyl)-N-cyclohexylimidazol-2-amine
CID 106564006
N-cyclopentyl-1-(3,5-dichlorophenyl)imidazol-2-amine
CID 106557230
N-cyclohexyl-1-(3-fluoro-2-methylphenyl)imidazol-2-amine
CID 106564061
N-cyclohexyl-1-(3,4,5-trifluorophenyl)imidazol-2-amine
CID 106570813
N-cyclohexyl-1-(2,5-dimethylphenyl)imidazol-2-amine
CID 106558241
1-(4-bromo-5-fluoro-2-methylphenyl)-N-cyclopentylimidazol-2-amine
CID 106582277

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-N-cyclopentylimidazol-2-amine?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-N-cyclopentylimidazol-2-amine (CID 106554110) is 1-(2-chloro-4-fluorophenyl)-N-cyclopentylimidazol-2-amine.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-N-cyclopentylimidazol-2-amine?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-N-cyclopentylimidazol-2-amine is Fc1ccc(-n2ccnc2NC2CCCC2)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-N-cyclopentylimidazol-2-amine?
The InChIKey is JOJUSMUGCCHLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3/c15-12-9-10(16)5-6-13(12)19-8-7-17-14(19)18-11-3-1-2-4-11/h5-9,11H,1-4H2,(H,17,18).
What are the key properties of 1-(2-chloro-4-fluorophenyl)-N-cyclopentylimidazol-2-amine?
1-(2-chloro-4-fluorophenyl)-N-cyclopentylimidazol-2-amine has a molecular weight of 279.75 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)-N-cyclopentylimidazol-2-amine is sourced from PubChem (CID 106554110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).