2-amino-5-(1-benzoylpiperidin-4-yl)-5-(3-bromophenyl)-3-methylimidazol-4-one

C22H23BrN4O2 — CID 58946127

IUPAC2-amino-5-(1-benzoylpiperidin-4-yl)-5-(3-bromophenyl)-3-methylimidazol-4-one
SMILESCN1C(=O)C(c2cccc(Br)c2)(C2CCN(C(=O)c3ccccc3)CC2)N=C1N
InChIInChI=1S/C22H23BrN4O2/c1-26-20(29)22(25-21(26)24,17-8-5-9-18(23)14-17)16-10-12-27(13-11-16)19(28)15-6-3-2-4-7-15/h2-9,14,16H,10-13H2,1H3,(H2,24,25)
InChIKeyVKZWQLZNLIGMJN-UHFFFAOYSA-N
MW455.36 g/mol
LogP2.98
Rot. Bonds3

About 2-amino-5-(1-benzoylpiperidin-4-yl)-5-(3-bromophenyl)-3-methylimidazol-4-one

2-amino-5-(1-benzoylpiperidin-4-yl)-5-(3-bromophenyl)-3-methylimidazol-4-one (PubChem CID 58946127) has the molecular formula C22H23BrN4O2 and a molecular weight of 455.36 g/mol. Its IUPAC name is 2-amino-5-(1-benzoylpiperidin-4-yl)-5-(3-bromophenyl)-3-methylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-(1-benzoylpiperidin-4-yl)-5-(3-bromophenyl)-3-methylimidazol-4-one
PubChem CID58946127
Molecular FormulaC22H23BrN4O2
Molecular Weight455.36 g/mol
Exact Mass454.10
IUPAC Name2-amino-5-(1-benzoylpiperidin-4-yl)-5-(3-bromophenyl)-3-methylimidazol-4-one
SMILESCN1C(=O)C(c2cccc(Br)c2)(C2CCN(C(=O)c3ccccc3)CC2)N=C1N
InChIInChI=1S/C22H23BrN4O2/c1-26-20(29)22(25-21(26)24,17-8-5-9-18(23)14-17)16-10-12-27(13-11-16)19(28)15-6-3-2-4-7-15/h2-9,14,16H,10-13H2,1H3,(H2,24,25)
InChIKeyVKZWQLZNLIGMJN-UHFFFAOYSA-N
XLogP2.98
TPSA79.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.36
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-2-amino-5-(3-bromophenyl)-5-cyclopropyl-3-methylimidazol-4-one
CID 70136463
methyl 4-[4-[2-amino-4-[3-[(2-methoxyacetyl)amino]phenyl]-1-methyl-5-oxoimidazol-4-yl]piperidine-1-carbonyl]benzoate
CID 58946133
2-amino-5-cyclopentyl-3-methyl-5-phenylimidazol-4-one
CID 25063404
(5R)-2-amino-5-cyclopropyl-5-[3-[3-(hydroxymethyl)phenyl]phenyl]-3-methylimidazol-4-one
CID 59387276
[4-[2-amino-5-[3-(3-fluorophenyl)phenyl]-3-methyl-4H-imidazol-5-yl]piperidin-1-yl]-phenylmethanone
CID 141178383
3-[3-(2-amino-4-cyclopropyl-1-methyl-5-oxoimidazol-4-yl)phenyl]benzonitrile
CID 11624078
(5R)-2-amino-5-(3-bromophenyl)-5-[4-(difluoromethoxy)cyclohexa-2,4-dien-1-yl]-3-methylimidazol-4-one
CID 67565980
2-amino-6-(3-bromophenyl)-3,6-dimethyl-5H-pyrimidin-4-one
CID 23731035
2-amino-3-(1-benzoylpiperidin-4-yl)-5,5-bis(4-methoxyphenyl)imidazol-4-one
CID 86273116
2-amino-5-(3-bromophenyl)-3-methyl-5-(5-methylthiophen-3-yl)imidazol-4-one
CID 143389257
2-amino-5-[2-(3-bromophenyl)ethyl]-3-methyl-5-phenylimidazol-4-one
CID 25063825
2-amino-5-[3-(aminomethyl)phenyl]-5-(3-bromophenyl)-3-methylimidazol-4-one;2,2,2-trifluoroacetic acid
CID 174572032

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(1-benzoylpiperidin-4-yl)-5-(3-bromophenyl)-3-methylimidazol-4-one?
The IUPAC name of 2-amino-5-(1-benzoylpiperidin-4-yl)-5-(3-bromophenyl)-3-methylimidazol-4-one (CID 58946127) is 2-amino-5-(1-benzoylpiperidin-4-yl)-5-(3-bromophenyl)-3-methylimidazol-4-one.
What is the SMILES notation for 2-amino-5-(1-benzoylpiperidin-4-yl)-5-(3-bromophenyl)-3-methylimidazol-4-one?
The canonical SMILES for 2-amino-5-(1-benzoylpiperidin-4-yl)-5-(3-bromophenyl)-3-methylimidazol-4-one is CN1C(=O)C(c2cccc(Br)c2)(C2CCN(C(=O)c3ccccc3)CC2)N=C1N.
What is the InChIKey of 2-amino-5-(1-benzoylpiperidin-4-yl)-5-(3-bromophenyl)-3-methylimidazol-4-one?
The InChIKey is VKZWQLZNLIGMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23BrN4O2/c1-26-20(29)22(25-21(26)24,17-8-5-9-18(23)14-17)16-10-12-27(13-11-16)19(28)15-6-3-2-4-7-15/h2-9,14,16H,10-13H2,1H3,(H2,24,25).
What are the key properties of 2-amino-5-(1-benzoylpiperidin-4-yl)-5-(3-bromophenyl)-3-methylimidazol-4-one?
2-amino-5-(1-benzoylpiperidin-4-yl)-5-(3-bromophenyl)-3-methylimidazol-4-one has a molecular weight of 455.36 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(1-benzoylpiperidin-4-yl)-5-(3-bromophenyl)-3-methylimidazol-4-one is sourced from PubChem (CID 58946127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).