5-(4-amino-3,5-dibromophenyl)-3-piperidin-4-yl-1H-imidazol-2-one

C14H16Br2N4O — CID 18321230

IUPAC5-(4-amino-3,5-dibromophenyl)-3-piperidin-4-yl-1H-imidazol-2-one
SMILESNc1c(Br)cc(-c2cn(C3CCNCC3)c(=O)[nH]2)cc1Br
InChIInChI=1S/C14H16Br2N4O/c15-10-5-8(6-11(16)13(10)17)12-7-20(14(21)19-12)9-1-3-18-4-2-9/h5-7,9,18H,1-4,17H2,(H,19,21)
InChIKeyYKLXDZZCXHCXIO-UHFFFAOYSA-N
MW416.12 g/mol
LogP2.88
Rot. Bonds2

About 5-(4-amino-3,5-dibromophenyl)-3-piperidin-4-yl-1H-imidazol-2-one

5-(4-amino-3,5-dibromophenyl)-3-piperidin-4-yl-1H-imidazol-2-one (PubChem CID 18321230) has the molecular formula C14H16Br2N4O and a molecular weight of 416.12 g/mol. Its IUPAC name is 5-(4-amino-3,5-dibromophenyl)-3-piperidin-4-yl-1H-imidazol-2-one.

Molecular Properties

Compound Name5-(4-amino-3,5-dibromophenyl)-3-piperidin-4-yl-1H-imidazol-2-one
PubChem CID18321230
Molecular FormulaC14H16Br2N4O
Molecular Weight416.12 g/mol
Exact Mass413.97
IUPAC Name5-(4-amino-3,5-dibromophenyl)-3-piperidin-4-yl-1H-imidazol-2-one
SMILESNc1c(Br)cc(-c2cn(C3CCNCC3)c(=O)[nH]2)cc1Br
InChIInChI=1S/C14H16Br2N4O/c15-10-5-8(6-11(16)13(10)17)12-7-20(14(21)19-12)9-1-3-18-4-2-9/h5-7,9,18H,1-4,17H2,(H,19,21)
InChIKeyYKLXDZZCXHCXIO-UHFFFAOYSA-N
XLogP2.88
TPSA75.84 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.12
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-phenyl-3-piperidin-4-yl-1H-imidazol-2-one;hydrochloride
CID 67344326
5-(4-methoxyphenyl)-3-piperidin-4-yl-1H-imidazol-2-one
CID 18321473
5-(4-chlorophenyl)-3-cyclopropyl-1H-imidazol-2-one
CID 68839579
2-oxo-3-piperidin-4-yl-1H-imidazole-5-carbonitrile
CID 59856528
1-(4-amino-3,5-dibromophenyl)-4-[4-(5-naphthalen-2-yl-2-oxo-1H-imidazol-3-yl)piperidin-1-yl]butane-1,4-dione
CID 21109757
3-(1-methylpiperidin-1-ium-4-yl)-5-phenyl-1H-imidazol-2-one
CID 143670655
N-[(2S)-3-(4-amino-3,5-dibromophenyl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-4-[5-(4-fluorophenyl)-2-oxo-1H-imidazol-3-yl]piperidine-1-carboxamide
CID 90766151
5-(3-chlorophenyl)-3-(1-iodopiperidin-4-yl)-1H-imidazol-2-one
CID 142061485
N-[(2R)-3-(4-amino-3,5-dibromophenyl)-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]-4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxamide
CID 11721849
4-[5-(4-amino-3,5-dibromophenyl)-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde;4-aminopiperidine-1-carbaldehyde;4-(2-oxo-1,4-dihydropyrido[4,3-d]pyrimidin-3-yl)piperidine-1-carbaldehyde;4-(4-oxo-1,2-dihydroquinazolin-3-yl)piperidine-1-carbaldehyde;4-oxopiperidine-1-carbaldehyde
CID 160725228
5-bromo-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine
CID 164579497
N-[(2R)-3-(4-amino-3,5-dibromophenyl)-1-oxo-1-(4-pyridin-3-ylpiperazin-1-yl)propan-2-yl]-4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxamide
CID 22945456

Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-3,5-dibromophenyl)-3-piperidin-4-yl-1H-imidazol-2-one?
The IUPAC name of 5-(4-amino-3,5-dibromophenyl)-3-piperidin-4-yl-1H-imidazol-2-one (CID 18321230) is 5-(4-amino-3,5-dibromophenyl)-3-piperidin-4-yl-1H-imidazol-2-one.
What is the SMILES notation for 5-(4-amino-3,5-dibromophenyl)-3-piperidin-4-yl-1H-imidazol-2-one?
The canonical SMILES for 5-(4-amino-3,5-dibromophenyl)-3-piperidin-4-yl-1H-imidazol-2-one is Nc1c(Br)cc(-c2cn(C3CCNCC3)c(=O)[nH]2)cc1Br.
What is the InChIKey of 5-(4-amino-3,5-dibromophenyl)-3-piperidin-4-yl-1H-imidazol-2-one?
The InChIKey is YKLXDZZCXHCXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Br2N4O/c15-10-5-8(6-11(16)13(10)17)12-7-20(14(21)19-12)9-1-3-18-4-2-9/h5-7,9,18H,1-4,17H2,(H,19,21).
What are the key properties of 5-(4-amino-3,5-dibromophenyl)-3-piperidin-4-yl-1H-imidazol-2-one?
5-(4-amino-3,5-dibromophenyl)-3-piperidin-4-yl-1H-imidazol-2-one has a molecular weight of 416.12 g/mol, XLogP of 2.88, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-3,5-dibromophenyl)-3-piperidin-4-yl-1H-imidazol-2-one is sourced from PubChem (CID 18321230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).