2-amino-3-(1-benzoylpiperidin-4-yl)-5,5-bis(4-methoxyphenyl)imidazol-4-one

C29H30N4O4 — CID 86273116

IUPAC2-amino-3-(1-benzoylpiperidin-4-yl)-5,5-bis(4-methoxyphenyl)imidazol-4-one
SMILESCOc1ccc(C2(c3ccc(OC)cc3)N=C(N)N(C3CCN(C(=O)c4ccccc4)CC3)C2=O)cc1
InChIInChI=1S/C29H30N4O4/c1-36-24-12-8-21(9-13-24)29(22-10-14-25(37-2)15-11-22)27(35)33(28(30)31-29)23-16-18-32(19-17-23)26(34)20-6-4-3-5-7-20/h3-15,23H,16-19H2,1-2H3,(H2,30,31)
InChIKeyBGUIVSJLZSNGPA-UHFFFAOYSA-N
MW498.58 g/mol
LogP3.41
Rot. Bonds6

About 2-amino-3-(1-benzoylpiperidin-4-yl)-5,5-bis(4-methoxyphenyl)imidazol-4-one

2-amino-3-(1-benzoylpiperidin-4-yl)-5,5-bis(4-methoxyphenyl)imidazol-4-one (PubChem CID 86273116) has the molecular formula C29H30N4O4 and a molecular weight of 498.58 g/mol. Its IUPAC name is 2-amino-3-(1-benzoylpiperidin-4-yl)-5,5-bis(4-methoxyphenyl)imidazol-4-one.

Molecular Properties

Compound Name2-amino-3-(1-benzoylpiperidin-4-yl)-5,5-bis(4-methoxyphenyl)imidazol-4-one
PubChem CID86273116
Molecular FormulaC29H30N4O4
Molecular Weight498.58 g/mol
Exact Mass498.23
IUPAC Name2-amino-3-(1-benzoylpiperidin-4-yl)-5,5-bis(4-methoxyphenyl)imidazol-4-one
SMILESCOc1ccc(C2(c3ccc(OC)cc3)N=C(N)N(C3CCN(C(=O)c4ccccc4)CC3)C2=O)cc1
InChIInChI=1S/C29H30N4O4/c1-36-24-12-8-21(9-13-24)29(22-10-14-25(37-2)15-11-22)27(35)33(28(30)31-29)23-16-18-32(19-17-23)26(34)20-6-4-3-5-7-20/h3-15,23H,16-19H2,1-2H3,(H2,30,31)
InChIKeyBGUIVSJLZSNGPA-UHFFFAOYSA-N
XLogP3.41
TPSA97.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.58
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
(4-methoxyphenyl)-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone;oxalic acid
CID 2910930
2-[1-(4-methoxybenzoyl)piperidin-4-yl]-3H-isoindol-1-one
CID 134790875
1-(4-methoxybenzoyl)-4-phenylpiperidine-4-carboxylic acid
CID 22240655
1-[1-(4-methoxybenzoyl)piperidin-4-yl]imidazolidin-2-one
CID 134790027
(4-methoxyphenyl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121149874
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396821
8-benzoyl-3-(4-methoxyphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
CID 20911554
N-[1-(4-methoxybenzoyl)piperidin-4-yl]-2-phenylacetamide
CID 108551232
(3R,4S)-3-methoxy-1-[1-(4-methoxybenzoyl)piperidin-4-yl]-4-pyridin-4-ylazetidin-2-one
CID 91911520
2-(1-benzoylpiperidin-4-yl)-5-(3,4-dimethoxyphenyl)-4,4-dimethylpyrazol-3-one
CID 46205949
1-(4-methoxybenzoyl)-4-phenyl-1,4-diazepan-5-one
CID 110873914

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1-benzoylpiperidin-4-yl)-5,5-bis(4-methoxyphenyl)imidazol-4-one?
The IUPAC name of 2-amino-3-(1-benzoylpiperidin-4-yl)-5,5-bis(4-methoxyphenyl)imidazol-4-one (CID 86273116) is 2-amino-3-(1-benzoylpiperidin-4-yl)-5,5-bis(4-methoxyphenyl)imidazol-4-one.
What is the SMILES notation for 2-amino-3-(1-benzoylpiperidin-4-yl)-5,5-bis(4-methoxyphenyl)imidazol-4-one?
The canonical SMILES for 2-amino-3-(1-benzoylpiperidin-4-yl)-5,5-bis(4-methoxyphenyl)imidazol-4-one is COc1ccc(C2(c3ccc(OC)cc3)N=C(N)N(C3CCN(C(=O)c4ccccc4)CC3)C2=O)cc1.
What is the InChIKey of 2-amino-3-(1-benzoylpiperidin-4-yl)-5,5-bis(4-methoxyphenyl)imidazol-4-one?
The InChIKey is BGUIVSJLZSNGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O4/c1-36-24-12-8-21(9-13-24)29(22-10-14-25(37-2)15-11-22)27(35)33(28(30)31-29)23-16-18-32(19-17-23)26(34)20-6-4-3-5-7-20/h3-15,23H,16-19H2,1-2H3,(H2,30,31).
What are the key properties of 2-amino-3-(1-benzoylpiperidin-4-yl)-5,5-bis(4-methoxyphenyl)imidazol-4-one?
2-amino-3-(1-benzoylpiperidin-4-yl)-5,5-bis(4-methoxyphenyl)imidazol-4-one has a molecular weight of 498.58 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1-benzoylpiperidin-4-yl)-5,5-bis(4-methoxyphenyl)imidazol-4-one is sourced from PubChem (CID 86273116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).