N-(2-bromo-4,6-difluorophenyl)-1-cyclopentylimidazol-2-amine

C14H14BrF2N3 — CID 106561364

IUPACN-(2-bromo-4,6-difluorophenyl)-1-cyclopentylimidazol-2-amine
SMILESFc1cc(F)c(Nc2nccn2C2CCCC2)c(Br)c1
InChIInChI=1S/C14H14BrF2N3/c15-11-7-9(16)8-12(17)13(11)19-14-18-5-6-20(14)10-3-1-2-4-10/h5-8,10H,1-4H2,(H,18,19)
InChIKeyNQHWMXGJLIVDDE-UHFFFAOYSA-N
MW342.19 g/mol
LogP4.78
Rot. Bonds3

About N-(2-bromo-4,6-difluorophenyl)-1-cyclopentylimidazol-2-amine

N-(2-bromo-4,6-difluorophenyl)-1-cyclopentylimidazol-2-amine (PubChem CID 106561364) has the molecular formula C14H14BrF2N3 and a molecular weight of 342.19 g/mol. Its IUPAC name is N-(2-bromo-4,6-difluorophenyl)-1-cyclopentylimidazol-2-amine.

Molecular Properties

Compound NameN-(2-bromo-4,6-difluorophenyl)-1-cyclopentylimidazol-2-amine
PubChem CID106561364
Molecular FormulaC14H14BrF2N3
Molecular Weight342.19 g/mol
Exact Mass341.03
IUPAC NameN-(2-bromo-4,6-difluorophenyl)-1-cyclopentylimidazol-2-amine
SMILESFc1cc(F)c(Nc2nccn2C2CCCC2)c(Br)c1
InChIInChI=1S/C14H14BrF2N3/c15-11-7-9(16)8-12(17)13(11)19-14-18-5-6-20(14)10-3-1-2-4-10/h5-8,10H,1-4H2,(H,18,19)
InChIKeyNQHWMXGJLIVDDE-UHFFFAOYSA-N
XLogP4.78
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.19
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Fluorophenyl)imidazole
CID 140833
(2-Bromo-phenyl)-(1H-imidazol-2-yl)-amine
CID 10490084
1-(3-Fluorophenyl)imidazole
CID 2737472
1-(4-Bromophenyl)imidazole
CID 2735604
1-(3-bromophenyl)-1H-imidazole
CID 312096
1-(2,3,5,6-Tetrafluorophenyl)imidazole
CID 688180
1-Phenyl-1H-imidazol-2-amine
CID 13805405
3-bromo-4-fluoro-N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylaniline
CID 24947891
4-bromo-N-ethyl-3-fluoro-N-(1H-imidazol-5-ylmethyl)aniline
CID 24948459
3-bromo-N-ethyl-4-fluoro-N-(1H-imidazol-5-ylmethyl)aniline
CID 24948463
3-bromo-4-fluoro-N-(1H-imidazol-5-ylmethyl)aniline
CID 24948646
4-bromo-3-fluoro-N-(1H-imidazol-5-ylmethyl)aniline
CID 59728239

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4,6-difluorophenyl)-1-cyclopentylimidazol-2-amine?
The IUPAC name of N-(2-bromo-4,6-difluorophenyl)-1-cyclopentylimidazol-2-amine (CID 106561364) is N-(2-bromo-4,6-difluorophenyl)-1-cyclopentylimidazol-2-amine.
What is the SMILES notation for N-(2-bromo-4,6-difluorophenyl)-1-cyclopentylimidazol-2-amine?
The canonical SMILES for N-(2-bromo-4,6-difluorophenyl)-1-cyclopentylimidazol-2-amine is Fc1cc(F)c(Nc2nccn2C2CCCC2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4,6-difluorophenyl)-1-cyclopentylimidazol-2-amine?
The InChIKey is NQHWMXGJLIVDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrF2N3/c15-11-7-9(16)8-12(17)13(11)19-14-18-5-6-20(14)10-3-1-2-4-10/h5-8,10H,1-4H2,(H,18,19).
What are the key properties of N-(2-bromo-4,6-difluorophenyl)-1-cyclopentylimidazol-2-amine?
N-(2-bromo-4,6-difluorophenyl)-1-cyclopentylimidazol-2-amine has a molecular weight of 342.19 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4,6-difluorophenyl)-1-cyclopentylimidazol-2-amine is sourced from PubChem (CID 106561364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).