1-(3-bromo-4-fluorophenyl)-N-cyclopentylimidazol-2-amine

C14H15BrFN3 — CID 106581538

IUPAC1-(3-bromo-4-fluorophenyl)-N-cyclopentylimidazol-2-amine
SMILESFc1ccc(-n2ccnc2NC2CCCC2)cc1Br
InChIInChI=1S/C14H15BrFN3/c15-12-9-11(5-6-13(12)16)19-8-7-17-14(19)18-10-3-1-2-4-10/h5-10H,1-4H2,(H,17,18)
InChIKeySPCCJHRHULJCEP-UHFFFAOYSA-N
MW324.20 g/mol
LogP4.13
Rot. Bonds3

About 1-(3-bromo-4-fluorophenyl)-N-cyclopentylimidazol-2-amine

1-(3-bromo-4-fluorophenyl)-N-cyclopentylimidazol-2-amine (PubChem CID 106581538) has the molecular formula C14H15BrFN3 and a molecular weight of 324.20 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)-N-cyclopentylimidazol-2-amine.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)-N-cyclopentylimidazol-2-amine
PubChem CID106581538
Molecular FormulaC14H15BrFN3
Molecular Weight324.20 g/mol
Exact Mass323.04
IUPAC Name1-(3-bromo-4-fluorophenyl)-N-cyclopentylimidazol-2-amine
SMILESFc1ccc(-n2ccnc2NC2CCCC2)cc1Br
InChIInChI=1S/C14H15BrFN3/c15-12-9-11(5-6-13(12)16)19-8-7-17-14(19)18-10-3-1-2-4-10/h5-10H,1-4H2,(H,17,18)
InChIKeySPCCJHRHULJCEP-UHFFFAOYSA-N
XLogP4.13
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.20
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-4-chlorophenyl)-N-cyclopropylimidazol-2-amine
CID 106576642
N-cyclohexyl-1-(3,4,5-trifluorophenyl)imidazol-2-amine
CID 106570813
1-(4-bromo-5-fluoro-2-methylphenyl)-N-cyclopentylimidazol-2-amine
CID 106582277
N-cyclopentyl-1-(3,4-dimethylphenyl)imidazol-2-amine
CID 106560237
N-cyclopentyl-1-(3,5-dichlorophenyl)imidazol-2-amine
CID 106557230
N-cyclopentyl-1-(3-methylphenyl)imidazol-2-amine
CID 106560185
N-cyclopentyl-1-(3-iodophenyl)imidazol-2-amine
CID 106554214
N-cycloheptyl-1-phenylimidazol-2-amine
CID 106561276
1-(5-bromo-4-fluoro-2-methylphenyl)-N-cyclopropylimidazol-2-amine
CID 107590742
N-cyclohexyl-1-(4-methoxy-3-methylphenyl)imidazol-2-amine
CID 106564117
N-cyclopentyl-1-(3-ethylphenyl)imidazol-2-amine
CID 106559803
1-(4-chloro-3-methoxyphenyl)-N-cyclohexylimidazol-2-amine
CID 107623823

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenyl)-N-cyclopentylimidazol-2-amine?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)-N-cyclopentylimidazol-2-amine (CID 106581538) is 1-(3-bromo-4-fluorophenyl)-N-cyclopentylimidazol-2-amine.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)-N-cyclopentylimidazol-2-amine?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)-N-cyclopentylimidazol-2-amine is Fc1ccc(-n2ccnc2NC2CCCC2)cc1Br.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)-N-cyclopentylimidazol-2-amine?
The InChIKey is SPCCJHRHULJCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFN3/c15-12-9-11(5-6-13(12)16)19-8-7-17-14(19)18-10-3-1-2-4-10/h5-10H,1-4H2,(H,17,18).
What are the key properties of 1-(3-bromo-4-fluorophenyl)-N-cyclopentylimidazol-2-amine?
1-(3-bromo-4-fluorophenyl)-N-cyclopentylimidazol-2-amine has a molecular weight of 324.20 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-fluorophenyl)-N-cyclopentylimidazol-2-amine is sourced from PubChem (CID 106581538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).