acetyl acetate;N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide;4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyridin-2-amine;N-[4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide

C89H98N12O13Si2 — CID 163734983

IUPACacetyl acetate;N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide;4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyridin-2-amine;N-[4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Oc2ccc3c(c2)CC(c2nc(-c4ccccc4)cn2COCC[Si](C)(C)C)CO3)ccn1.CC(=O)Nc1cc(Oc2ccc3c(c2)CC(c2ncc(-c4ccccc4)[nH]2)CO3)ccn1.CC(=O)OC(C)=O.C[Si](C)(C)CCOCn1cc(-c2ccccc2)nc1C1COc2ccc(Oc3ccnc(N)c3)cc2C1
InChIInChI=1S/C31H36N4O4Si.C29H34N4O3Si.C25H22N4O3.C4H6O3/c1-22(36)33-30-18-27(12-13-32-30)39-26-10-11-29-24(17-26)16-25(20-38-29)31-34-28(23-8-6-5-7-9-23)19-35(31)21-37-14-15-40(2,3)4;1-37(2,3)14-13-34-20-33-18-26(21-7-5-4-6-8-21)32-29(33)23-15-22-16-24(9-10-27(22)35-19-23)36-25-11-12-31-28(30)17-25;1-16(30)28-24-13-21(9-10-26-24)32-20-7-8-23-18(12-20)11-19(15-31-23)25-27-14-22(29-25)17-5-3-2-4-6-17;1-3(5)7-4(2)6/h5-13,17-19,25H,14-16,20-21H2,1-4H3,(H,32,33,36);4-12,16-18,23H,13-15,19-20H2,1-3H3,(H2,30,31);2-10,12-14,19H,11,15H2,1H3,(H,27,29)(H,26,28,30);1-2H3
InChIKeyLCUVHGFEYVSLIN-UHFFFAOYSA-N
MW1600.01 g/mol
LogP18.11
Rot. Bonds24

About acetyl acetate;N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide;4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyridin-2-amine;N-[4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide

acetyl acetate;N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide;4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyridin-2-amine;N-[4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide (PubChem CID 163734983) has the molecular formula C89H98N12O13Si2 and a molecular weight of 1600.01 g/mol. Its IUPAC name is acetyl acetate;N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide;4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyridin-2-amine;N-[4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide.

Molecular Properties

Compound Nameacetyl acetate;N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide;4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyridin-2-amine;N-[4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide
PubChem CID163734983
Molecular FormulaC89H98N12O13Si2
Molecular Weight1600.01 g/mol
Exact Mass1598.69
IUPAC Nameacetyl acetate;N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide;4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyridin-2-amine;N-[4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Oc2ccc3c(c2)CC(c2nc(-c4ccccc4)cn2COCC[Si](C)(C)C)CO3)ccn1.CC(=O)Nc1cc(Oc2ccc3c(c2)CC(c2ncc(-c4ccccc4)[nH]2)CO3)ccn1.CC(=O)OC(C)=O.C[Si](C)(C)CCOCn1cc(-c2ccccc2)nc1C1COc2ccc(Oc3ccnc(N)c3)cc2C1
InChIInChI=1S/C31H36N4O4Si.C29H34N4O3Si.C25H22N4O3.C4H6O3/c1-22(36)33-30-18-27(12-13-32-30)39-26-10-11-29-24(17-26)16-25(20-38-29)31-34-28(23-8-6-5-7-9-23)19-35(31)21-37-14-15-40(2,3)4;1-37(2,3)14-13-34-20-33-18-26(21-7-5-4-6-8-21)32-29(33)23-15-22-16-24(9-10-27(22)35-19-23)36-25-11-12-31-28(30)17-25;1-16(30)28-24-13-21(9-10-26-24)32-20-7-8-23-18(12-20)11-19(15-31-23)25-27-14-22(29-25)17-5-3-2-4-6-17;1-3(5)7-4(2)6/h5-13,17-19,25H,14-16,20-21H2,1-4H3,(H,32,33,36);4-12,16-18,23H,13-15,19-20H2,1-3H3,(H2,30,31);2-10,12-14,19H,11,15H2,1H3,(H,27,29)(H,26,28,30);1-2H3
InChIKeyLCUVHGFEYVSLIN-UHFFFAOYSA-N
XLogP18.11
TPSA304.42 Ų
H-Bond Donors4
H-Bond Acceptors22
Rotatable Bonds24
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001600.01
LogP ≤ 518.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze acetyl acetate;N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide;4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyridin-2-amine;N-[4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide with MolForge

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Related Compounds

3-[4-[5-[5-(cyclohexatrienyl)-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoic acid;2,2-dimethyl-3-[4-[5-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]propanoic acid;2,2-dimethyl-3-[4-[5-[4-phenyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoic acid
CID 158306362
2,2-difluoro-N-[4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropane-1-carboxamide
CID 162712903
2,2-difluoro-N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropane-1-carboxamide;1-fluoro-N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropane-1-carboxamide;2-morpholin-4-yl-N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide;bis(N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclopropanecarboxamide);N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyrimidin-2-yl]cyclopropanecarboxamide
CID 163469682
CID 163686222
CID 163686222
3,3-difluoro-N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]cyclobutane-1-carboxamide;2-morpholin-4-yl-N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]propanamide;4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-pyridin-2-ylpyridin-2-amine;N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]-2-pyrrolidin-1-ylacetamide;N-[6-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyrimidin-4-yl]cyclopropanecarboxamide
CID 163909339
4-benzylcyclohexan-1-ol;2-[[2-[6-[4-(4-benzylcyclohexyl)oxyphenyl]-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;tris(carbon dioxide);2-(4-cyclohexyloxyphenyl)-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine;4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol
CID 176522804
tris(carbon dioxide);3-methylphenol;2-[4-(phenoxymethyl)cyclohexyl]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine;[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]methanol;trimethyl-[2-[[2-[6-[4-[(3-methylphenoxy)methyl]cyclohexyl]-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane
CID 176528319
tris(carbon dioxide);4-methyl-1H-pyridin-2-one;2-[4-(pyridin-2-yloxymethyl)cyclohexyl]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine;[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]methanol;trimethyl-[2-[[2-[6-[4-[(4-methyl-2-pyridinyl)oxymethyl]cyclohexyl]-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane
CID 176547408
[4-(2-pyridin-4-yloxyethyl)phenyl] 4-[2-(1H-imidazol-5-yl)ethyl]piperazine-1-carboxylate;[4-(2-pyridin-4-yloxyethyl)phenyl] 4-[2-(1-methylimidazol-4-yl)ethyl]piperazine-1-carboxylate;[4-(2-pyridin-4-yloxyethyl)phenyl] 4-[2-(1H-pyrrol-2-yl)ethyl]piperazine-1-carboxylate
CID 87883004
N-[4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyrimidin-2-yl]cyclopropanecarboxamide
CID 162712860
2-morpholin-4-yl-N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide
CID 162712864
5-[[3-[5-(2-ethyl-4-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 162712865

Frequently Asked Questions

What is the IUPAC name of acetyl acetate;N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide;4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyridin-2-amine;N-[4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide?
The IUPAC name of acetyl acetate;N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide;4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyridin-2-amine;N-[4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide (CID 163734983) is acetyl acetate;N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide;4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyridin-2-amine;N-[4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide.
What is the SMILES notation for acetyl acetate;N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide;4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyridin-2-amine;N-[4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide?
The canonical SMILES for acetyl acetate;N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide;4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyridin-2-amine;N-[4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide is CC(=O)Nc1cc(Oc2ccc3c(c2)CC(c2nc(-c4ccccc4)cn2COCC[Si](C)(C)C)CO3)ccn1.CC(=O)Nc1cc(Oc2ccc3c(c2)CC(c2ncc(-c4ccccc4)[nH]2)CO3)ccn1.CC(=O)OC(C)=O.C[Si](C)(C)CCOCn1cc(-c2ccccc2)nc1C1COc2ccc(Oc3ccnc(N)c3)cc2C1.
What is the InChIKey of acetyl acetate;N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide;4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyridin-2-amine;N-[4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide?
The InChIKey is LCUVHGFEYVSLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N4O4Si.C29H34N4O3Si.C25H22N4O3.C4H6O3/c1-22(36)33-30-18-27(12-13-32-30)39-26-10-11-29-24(17-26)16-25(20-38-29)31-34-28(23-8-6-5-7-9-23)19-35(31)21-37-14-15-40(2,3)4;1-37(2,3)14-13-34-20-33-18-26(21-7-5-4-6-8-21)32-29(33)23-15-22-16-24(9-10-27(22)35-19-23)36-25-11-12-31-28(30)17-25;1-16(30)28-24-13-21(9-10-26-24)32-20-7-8-23-18(12-20)11-19(15-31-23)25-27-14-22(29-25)17-5-3-2-4-6-17;1-3(5)7-4(2)6/h5-13,17-19,25H,14-16,20-21H2,1-4H3,(H,32,33,36);4-12,16-18,23H,13-15,19-20H2,1-3H3,(H2,30,31);2-10,12-14,19H,11,15H2,1H3,(H,27,29)(H,26,28,30);1-2H3.
What are the key properties of acetyl acetate;N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide;4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyridin-2-amine;N-[4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide?
acetyl acetate;N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide;4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyridin-2-amine;N-[4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide has a molecular weight of 1600.01 g/mol, XLogP of 18.11, 24 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl acetate;N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide;4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyridin-2-amine;N-[4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide is sourced from PubChem (CID 163734983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).