1-(3H-benzimidazol-5-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-(4-methylphenyl)butane-1,4-dione

C111H96N6O12S3 — CID 158897652

IUPAC1-(3H-benzimidazol-5-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-(4-methylphenyl)butane-1,4-dione
SMILESCc1ccc(C(=O)CCC(=O)c2ccc3nc[nH]c3c2)cc1.Cc1ccc(C(=O)CCC(=O)c2ccc3sccc3c2)cc1.Cc1cccc(C(=O)CCC(=O)c2ccc3nc[nH]c3c2)c1.Cc1cccc(C(=O)CCC(=O)c2ccc3sccc3c2)c1.Cc1ccccc1C(=O)CCC(=O)c1ccc2nc[nH]c2c1.Cc1ccccc1C(=O)CCC(=O)c1ccc2sccc2c1
InChIInChI=1S/3C19H16O2S.3C18H16N2O2/c1-13-2-4-14(5-3-13)17(20)7-8-18(21)15-6-9-19-16(12-15)10-11-22-19;1-13-3-2-4-14(11-13)17(20)6-7-18(21)15-5-8-19-16(12-15)9-10-22-19;1-13-4-2-3-5-16(13)18(21)8-7-17(20)14-6-9-19-15(12-14)10-11-22-19;1-12-2-4-13(5-3-12)17(21)8-9-18(22)14-6-7-15-16(10-14)20-11-19-15;1-12-3-2-4-13(9-12)17(21)7-8-18(22)14-5-6-15-16(10-14)20-11-19-15;1-12-4-2-3-5-14(12)18(22)9-8-17(21)13-6-7-15-16(10-13)20-11-19-15/h2-6,9-12H,7-8H2,1H3;2-5,8-12H,6-7H2,1H3;2-6,9-12H,7-8H2,1H3;2-7,10-11H,8-9H2,1H3,(H,19,20);2-6,9-11H,7-8H2,1H3,(H,19,20);2-7,10-11H,8-9H2,1H3,(H,19,20)
InChIKeyJFANMWMEYOOOHY-UHFFFAOYSA-N
MW1802.22 g/mol
LogP26.32
Rot. Bonds30

About 1-(3H-benzimidazol-5-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-(4-methylphenyl)butane-1,4-dione

1-(3H-benzimidazol-5-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-(4-methylphenyl)butane-1,4-dione (PubChem CID 158897652) has the molecular formula C111H96N6O12S3 and a molecular weight of 1802.22 g/mol. Its IUPAC name is 1-(3H-benzimidazol-5-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-(4-methylphenyl)butane-1,4-dione.

Molecular Properties

Compound Name1-(3H-benzimidazol-5-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-(4-methylphenyl)butane-1,4-dione
PubChem CID158897652
Molecular FormulaC111H96N6O12S3
Molecular Weight1802.22 g/mol
Exact Mass1800.62
IUPAC Name1-(3H-benzimidazol-5-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-(4-methylphenyl)butane-1,4-dione
SMILESCc1ccc(C(=O)CCC(=O)c2ccc3nc[nH]c3c2)cc1.Cc1ccc(C(=O)CCC(=O)c2ccc3sccc3c2)cc1.Cc1cccc(C(=O)CCC(=O)c2ccc3nc[nH]c3c2)c1.Cc1cccc(C(=O)CCC(=O)c2ccc3sccc3c2)c1.Cc1ccccc1C(=O)CCC(=O)c1ccc2nc[nH]c2c1.Cc1ccccc1C(=O)CCC(=O)c1ccc2sccc2c1
InChIInChI=1S/3C19H16O2S.3C18H16N2O2/c1-13-2-4-14(5-3-13)17(20)7-8-18(21)15-6-9-19-16(12-15)10-11-22-19;1-13-3-2-4-14(11-13)17(20)6-7-18(21)15-5-8-19-16(12-15)9-10-22-19;1-13-4-2-3-5-16(13)18(21)8-7-17(20)14-6-9-19-15(12-14)10-11-22-19;1-12-2-4-13(5-3-12)17(21)8-9-18(22)14-6-7-15-16(10-14)20-11-19-15;1-12-3-2-4-13(9-12)17(21)7-8-18(22)14-5-6-15-16(10-14)20-11-19-15;1-12-4-2-3-5-14(12)18(22)9-8-17(21)13-6-7-15-16(10-13)20-11-19-15/h2-6,9-12H,7-8H2,1H3;2-5,8-12H,6-7H2,1H3;2-6,9-12H,7-8H2,1H3;2-7,10-11H,8-9H2,1H3,(H,19,20);2-6,9-11H,7-8H2,1H3,(H,19,20);2-7,10-11H,8-9H2,1H3,(H,19,20)
InChIKeyJFANMWMEYOOOHY-UHFFFAOYSA-N
XLogP26.32
TPSA290.88 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds30
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001802.22
LogP ≤ 526.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Analyze 1-(3H-benzimidazol-5-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-(4-methylphenyl)butane-1,4-dione with MolForge

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Related Compounds

3,4-diamino-N-thiophen-2-ylsulfanylbenzamide;5-(2-thiophen-2-yl-1H-inden-1-yl)decan-1-amine;2-[4-[2-[2-(trifluoromethyl)phenyl]-1H-inden-1-yl]phenyl]-1H-benzimidazole
CID 161223540
N-[7-(1-benzothiophen-2-yl)-1H-isoindol-5-yl]-3H-benzimidazole-5-carboxamide
CID 157815765
6-[2-(dimethylamino)ethyl]-2-[4-[[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one;2-[2-oxo-4-[[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]amino]-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[2-oxo-4-[[(2S)-1-thiophen-2-ylpropan-2-yl]amino]-1H-pyridin-3-yl]-6-(3-pyrrolidin-1-ylpropyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one
CID 159267295
2-[4-[[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one;2-[2-oxo-4-[[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]amino]-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[2-oxo-4-[[(2S)-1-thiophen-2-ylpropan-2-yl]amino]-1H-pyridin-3-yl]-6-(3-pyrrolidin-1-ylpropyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one;2-[2-oxo-4-[[(2S)-1-(2,3,5-trifluorophenyl)propan-2-yl]amino]-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one
CID 159482661
2-[2-oxo-4-(1-thiophen-2-ylbutan-2-ylamino)-1H-pyridin-3-yl]-6-(3-pyrrolidin-1-ylpropyl)-3H-pyrrolo[3,4-f]indole-5,7-dione;2-[2-oxo-4-(1-thiophen-2-ylpropan-2-ylamino)-1H-pyridin-3-yl]-6-(3-pyrrolidin-1-ylpropyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[2-oxo-4-(1-thiophen-3-ylpropan-2-ylamino)-1H-pyridin-3-yl]-6-(3-pyrrolidin-1-ylpropyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one;2-[2-oxo-4-(1-thiophen-2-ylpropan-2-ylamino)-1H-pyridin-3-yl]-6-(3-pyrrolidin-1-ylpropyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-[2-oxo-4-(1-thiophen-3-ylpropan-2-ylamino)-1H-pyridin-3-yl]-6-(3-pyrrolidin-1-ylpropyl)-3H-pyrrolo[3,4-f]indole-5,7-dione
CID 160088035
2-[4-[[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one;2-[2-oxo-4-[[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]amino]-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[2-oxo-4-[[(2S)-1-thiophen-2-ylpropan-2-yl]amino]-1H-pyridin-3-yl]-6-(3-pyrrolidin-1-ylpropyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[2-oxo-4-[[(2S)-1-(2,3,5-trifluorophenyl)propan-2-yl]amino]-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one
CID 160428543
1-(3H-benzimidazol-5-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-pyrimidin-2-ylbutane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-thiophen-2-ylbutane-1,4-dione;methane
CID 160542932
6-(benzenesulfinyl)-2-methyl-1H-benzimidazole;6-(benzenesulfonyl)-2-methyl-1H-benzimidazole;2-methyl-1H-benzimidazole;(2-methyl-3H-benzimidazol-5-yl)-phenylmethanone;(2-methyl-3H-benzimidazol-5-yl)-thiophen-2-ylmethanone;2-methyl-6-propylsulfanyl-1H-benzimidazole;2-methyl-6-propylsulfinyl-1H-benzimidazole;2-methyl-6-propylsulfonyl-1H-benzimidazole
CID 160981629
6-[2-(dimethylamino)ethyl]-2-[4-[[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2S)-1-(5-fluoro-2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one;2-[2-oxo-4-[[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]amino]-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[2-oxo-4-[[(2S)-1-thiophen-2-ylpropan-2-yl]amino]-1H-pyridin-3-yl]-6-(3-pyrrolidin-1-ylpropyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one
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2-[2-oxo-4-(1-thiophen-2-ylbutan-2-ylamino)-1H-pyridin-3-yl]-6-(3-pyrrolidin-1-ylpropyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one;2-[2-oxo-4-(1-thiophen-2-ylbutan-2-ylamino)-1H-pyridin-3-yl]-6-(3-pyrrolidin-1-ylpropyl)-3H-pyrrolo[3,4-f]indole-5,7-dione;2-[2-oxo-4-(1-thiophen-2-ylpropan-2-ylamino)-1H-pyridin-3-yl]-6-(3-pyrrolidin-1-ylpropyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[2-oxo-4-(1-thiophen-3-ylpropan-2-ylamino)-1H-pyridin-3-yl]-6-(3-pyrrolidin-1-ylpropyl)-3,7-dihydropyrrolo[3,4-f]indol-5-one;2-[2-oxo-4-(1-thiophen-3-ylpropan-2-ylamino)-1H-pyridin-3-yl]-6-(3-pyrrolidin-1-ylpropyl)-3H-pyrrolo[3,4-f]indole-5,7-dione
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4,7-di(propan-2-yl)-1,3-benzothiazole;4,7-di(propan-2-yl)-2,3-dihydroinden-1-one;bis(1,4-di(propan-2-yl)naphthalene);5,8-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene;2-methylidene-4,7-di(propan-2-yl)-1,3-dihydroindole;4-propan-2-yl-1H-benzimidazole;7-propan-2-yl-1,3-benzothiazole
CID 161456627
2-[2-(1H-imidazol-2-yl)ethyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[3-(5-methyl-1,3-benzothiazol-2-yl)propyl]cyclohexa-2,5-diene-1,4-dione;bis(2,3,5-trimethyl-6-[3-(6-methyl-1,3-benzothiazol-2-yl)propyl]cyclohexa-2,5-diene-1,4-dione);2,3,5-trimethyl-6-[3-(4-methyl-3H-indol-2-yl)propyl]cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[3-(6-methyl-3H-indol-2-yl)propyl]cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[3-(3H-pyrrol-2-yl)propyl]cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[2-(1,3-thiazol-2-yl)ethyl]cyclohexa-2,5-diene-1,4-dione
CID 161915752

Frequently Asked Questions

What is the IUPAC name of 1-(3H-benzimidazol-5-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-(4-methylphenyl)butane-1,4-dione?
The IUPAC name of 1-(3H-benzimidazol-5-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-(4-methylphenyl)butane-1,4-dione (CID 158897652) is 1-(3H-benzimidazol-5-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-(4-methylphenyl)butane-1,4-dione.
What is the SMILES notation for 1-(3H-benzimidazol-5-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-(4-methylphenyl)butane-1,4-dione?
The canonical SMILES for 1-(3H-benzimidazol-5-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-(4-methylphenyl)butane-1,4-dione is Cc1ccc(C(=O)CCC(=O)c2ccc3nc[nH]c3c2)cc1.Cc1ccc(C(=O)CCC(=O)c2ccc3sccc3c2)cc1.Cc1cccc(C(=O)CCC(=O)c2ccc3nc[nH]c3c2)c1.Cc1cccc(C(=O)CCC(=O)c2ccc3sccc3c2)c1.Cc1ccccc1C(=O)CCC(=O)c1ccc2nc[nH]c2c1.Cc1ccccc1C(=O)CCC(=O)c1ccc2sccc2c1.
What is the InChIKey of 1-(3H-benzimidazol-5-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-(4-methylphenyl)butane-1,4-dione?
The InChIKey is JFANMWMEYOOOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/3C19H16O2S.3C18H16N2O2/c1-13-2-4-14(5-3-13)17(20)7-8-18(21)15-6-9-19-16(12-15)10-11-22-19;1-13-3-2-4-14(11-13)17(20)6-7-18(21)15-5-8-19-16(12-15)9-10-22-19;1-13-4-2-3-5-16(13)18(21)8-7-17(20)14-6-9-19-15(12-14)10-11-22-19;1-12-2-4-13(5-3-12)17(21)8-9-18(22)14-6-7-15-16(10-14)20-11-19-15;1-12-3-2-4-13(9-12)17(21)7-8-18(22)14-5-6-15-16(10-14)20-11-19-15;1-12-4-2-3-5-14(12)18(22)9-8-17(21)13-6-7-15-16(10-13)20-11-19-15/h2-6,9-12H,7-8H2,1H3;2-5,8-12H,6-7H2,1H3;2-6,9-12H,7-8H2,1H3;2-7,10-11H,8-9H2,1H3,(H,19,20);2-6,9-11H,7-8H2,1H3,(H,19,20);2-7,10-11H,8-9H2,1H3,(H,19,20).
What are the key properties of 1-(3H-benzimidazol-5-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-(4-methylphenyl)butane-1,4-dione?
1-(3H-benzimidazol-5-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-(4-methylphenyl)butane-1,4-dione has a molecular weight of 1802.22 g/mol, XLogP of 26.32, 30 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-benzimidazol-5-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-(4-methylphenyl)butane-1,4-dione is sourced from PubChem (CID 158897652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).