2-[4-bromo-5-(2-fluoro-4-pyridinyl)imidazol-1-yl]-1-piperazin-1-ylethanone

C14H15BrFN5O — CID 175801229

IUPAC2-[4-bromo-5-(2-fluoro-4-pyridinyl)imidazol-1-yl]-1-piperazin-1-ylethanone
SMILESO=C(Cn1cnc(Br)c1-c1ccnc(F)c1)N1CCNCC1
InChIInChI=1S/C14H15BrFN5O/c15-14-13(10-1-2-18-11(16)7-10)21(9-19-14)8-12(22)20-5-3-17-4-6-20/h1-2,7,9,17H,3-6,8H2
InChIKeyCBWDXTXBDYZZCT-UHFFFAOYSA-N
MW368.21 g/mol
LogP1.28
Rot. Bonds3

About 2-[4-bromo-5-(2-fluoro-4-pyridinyl)imidazol-1-yl]-1-piperazin-1-ylethanone

2-[4-bromo-5-(2-fluoro-4-pyridinyl)imidazol-1-yl]-1-piperazin-1-ylethanone (PubChem CID 175801229) has the molecular formula C14H15BrFN5O and a molecular weight of 368.21 g/mol. Its IUPAC name is 2-[4-bromo-5-(2-fluoro-4-pyridinyl)imidazol-1-yl]-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-[4-bromo-5-(2-fluoro-4-pyridinyl)imidazol-1-yl]-1-piperazin-1-ylethanone
PubChem CID175801229
Molecular FormulaC14H15BrFN5O
Molecular Weight368.21 g/mol
Exact Mass367.04
IUPAC Name2-[4-bromo-5-(2-fluoro-4-pyridinyl)imidazol-1-yl]-1-piperazin-1-ylethanone
SMILESO=C(Cn1cnc(Br)c1-c1ccnc(F)c1)N1CCNCC1
InChIInChI=1S/C14H15BrFN5O/c15-14-13(10-1-2-18-11(16)7-10)21(9-19-14)8-12(22)20-5-3-17-4-6-20/h1-2,7,9,17H,3-6,8H2
InChIKeyCBWDXTXBDYZZCT-UHFFFAOYSA-N
XLogP1.28
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.21
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)-1-piperazin-1-ylethanone
CID 167352501
2-(6-bromoimidazo[4,5-b]pyridin-3-yl)-1-piperazin-1-ylethanone
CID 82151816
6-bromo-3-(2-oxo-2-piperazin-1-ylethyl)quinazolin-4-one
CID 62050317
2-(benzotriazol-2-yl)-1-piperazin-1-ylethanone
CID 83968777
1-(2-oxo-2-piperazin-1-ylethyl)imidazole-4,5-dicarbonitrile
CID 112595168
3-[methyl(pyridin-2-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one
CID 55085672
2-(3,5-diethylpyrazol-1-yl)-1-piperazin-1-ylethanone
CID 82694012
4-methyl-1-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-2-one
CID 114217405
2-(2,5-difluorophenyl)-1-piperazin-1-ylethanone;hydrochloride
CID 119401623
1-piperazin-1-yl-2-(quinolin-4-ylamino)ethanone
CID 61339914
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-piperazin-1-ylethanone
CID 62129908
2-(4-bromopyrazol-1-yl)-1-piperazin-1-ylethanone;dihydrochloride
CID 121226431

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-5-(2-fluoro-4-pyridinyl)imidazol-1-yl]-1-piperazin-1-ylethanone?
The IUPAC name of 2-[4-bromo-5-(2-fluoro-4-pyridinyl)imidazol-1-yl]-1-piperazin-1-ylethanone (CID 175801229) is 2-[4-bromo-5-(2-fluoro-4-pyridinyl)imidazol-1-yl]-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-[4-bromo-5-(2-fluoro-4-pyridinyl)imidazol-1-yl]-1-piperazin-1-ylethanone?
The canonical SMILES for 2-[4-bromo-5-(2-fluoro-4-pyridinyl)imidazol-1-yl]-1-piperazin-1-ylethanone is O=C(Cn1cnc(Br)c1-c1ccnc(F)c1)N1CCNCC1.
What is the InChIKey of 2-[4-bromo-5-(2-fluoro-4-pyridinyl)imidazol-1-yl]-1-piperazin-1-ylethanone?
The InChIKey is CBWDXTXBDYZZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFN5O/c15-14-13(10-1-2-18-11(16)7-10)21(9-19-14)8-12(22)20-5-3-17-4-6-20/h1-2,7,9,17H,3-6,8H2.
What are the key properties of 2-[4-bromo-5-(2-fluoro-4-pyridinyl)imidazol-1-yl]-1-piperazin-1-ylethanone?
2-[4-bromo-5-(2-fluoro-4-pyridinyl)imidazol-1-yl]-1-piperazin-1-ylethanone has a molecular weight of 368.21 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-5-(2-fluoro-4-pyridinyl)imidazol-1-yl]-1-piperazin-1-ylethanone is sourced from PubChem (CID 175801229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).