2-[4-(4-butoxy-2-methylphenyl)-6-(2-hydroxy-4-methylphenyl)-1,3,5-triazin-2-yl]-5-methylphenol;2-[1-(2-methylphenyl)benzimidazol-2-yl]phenol;2-[1-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol;2-(1-phenylbenzimidazol-2-yl)phenol;2-(5-phenyl-1,3-benzothiazol-2-yl)phenol;2-(5-phenyl-1,3-benzoxazol-2-yl)phenol

C124H100N12O9S — CID 159262759

IUPAC2-[4-(4-butoxy-2-methylphenyl)-6-(2-hydroxy-4-methylphenyl)-1,3,5-triazin-2-yl]-5-methylphenol;2-[1-(2-methylphenyl)benzimidazol-2-yl]phenol;2-[1-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol;2-(1-phenylbenzimidazol-2-yl)phenol;2-(5-phenyl-1,3-benzothiazol-2-yl)phenol;2-(5-phenyl-1,3-benzoxazol-2-yl)phenol
SMILESCCCCOc1ccc(-c2nc(-c3ccc(C)cc3O)nc(-c3ccc(C)cc3O)n2)c(C)c1.Cc1ccccc1-n1c(-c2ccccc2O)nc2ccccc21.Cc1ccccc1-n1c(-c2ccccc2O)nc2ncccc21.Oc1ccccc1-c1nc2cc(-c3ccccc3)ccc2o1.Oc1ccccc1-c1nc2cc(-c3ccccc3)ccc2s1.Oc1ccccc1-c1nc2ccccc2n1-c1ccccc1
InChIInChI=1S/C28H29N3O3.C20H16N2O.C19H15N3O.C19H14N2O.C19H13NO2.C19H13NOS/c1-5-6-13-34-20-9-12-21(19(4)16-20)26-29-27(22-10-7-17(2)14-24(22)32)31-28(30-26)23-11-8-18(3)15-25(23)33;1-14-8-2-5-11-17(14)22-18-12-6-4-10-16(18)21-20(22)15-9-3-7-13-19(15)23;1-13-7-2-4-9-15(13)22-16-10-6-12-20-18(16)21-19(22)14-8-3-5-11-17(14)23;22-18-13-7-4-10-15(18)19-20-16-11-5-6-12-17(16)21(19)14-8-2-1-3-9-14;2*21-17-9-5-4-8-15(17)19-20-16-12-14(10-11-18(16)22-19)13-6-2-1-3-7-13/h7-12,14-16,32-33H,5-6,13H2,1-4H3;2-13,23H,1H3;2-12,23H,1H3;1-13,22H;2*1-12,21H
InChIKeyKWSGUAPHXOBCML-UHFFFAOYSA-N
MW1934.31 g/mol
LogP29.80
Rot. Bonds17

About 2-[4-(4-butoxy-2-methylphenyl)-6-(2-hydroxy-4-methylphenyl)-1,3,5-triazin-2-yl]-5-methylphenol;2-[1-(2-methylphenyl)benzimidazol-2-yl]phenol;2-[1-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol;2-(1-phenylbenzimidazol-2-yl)phenol;2-(5-phenyl-1,3-benzothiazol-2-yl)phenol;2-(5-phenyl-1,3-benzoxazol-2-yl)phenol

2-[4-(4-butoxy-2-methylphenyl)-6-(2-hydroxy-4-methylphenyl)-1,3,5-triazin-2-yl]-5-methylphenol;2-[1-(2-methylphenyl)benzimidazol-2-yl]phenol;2-[1-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol;2-(1-phenylbenzimidazol-2-yl)phenol;2-(5-phenyl-1,3-benzothiazol-2-yl)phenol;2-(5-phenyl-1,3-benzoxazol-2-yl)phenol (PubChem CID 159262759) has the molecular formula C124H100N12O9S and a molecular weight of 1934.31 g/mol. Its IUPAC name is 2-[4-(4-butoxy-2-methylphenyl)-6-(2-hydroxy-4-methylphenyl)-1,3,5-triazin-2-yl]-5-methylphenol;2-[1-(2-methylphenyl)benzimidazol-2-yl]phenol;2-[1-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol;2-(1-phenylbenzimidazol-2-yl)phenol;2-(5-phenyl-1,3-benzothiazol-2-yl)phenol;2-(5-phenyl-1,3-benzoxazol-2-yl)phenol.

Molecular Properties

Compound Name2-[4-(4-butoxy-2-methylphenyl)-6-(2-hydroxy-4-methylphenyl)-1,3,5-triazin-2-yl]-5-methylphenol;2-[1-(2-methylphenyl)benzimidazol-2-yl]phenol;2-[1-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol;2-(1-phenylbenzimidazol-2-yl)phenol;2-(5-phenyl-1,3-benzothiazol-2-yl)phenol;2-(5-phenyl-1,3-benzoxazol-2-yl)phenol
PubChem CID159262759
Molecular FormulaC124H100N12O9S
Molecular Weight1934.31 g/mol
Exact Mass1932.75
IUPAC Name2-[4-(4-butoxy-2-methylphenyl)-6-(2-hydroxy-4-methylphenyl)-1,3,5-triazin-2-yl]-5-methylphenol;2-[1-(2-methylphenyl)benzimidazol-2-yl]phenol;2-[1-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol;2-(1-phenylbenzimidazol-2-yl)phenol;2-(5-phenyl-1,3-benzothiazol-2-yl)phenol;2-(5-phenyl-1,3-benzoxazol-2-yl)phenol
SMILESCCCCOc1ccc(-c2nc(-c3ccc(C)cc3O)nc(-c3ccc(C)cc3O)n2)c(C)c1.Cc1ccccc1-n1c(-c2ccccc2O)nc2ccccc21.Cc1ccccc1-n1c(-c2ccccc2O)nc2ncccc21.Oc1ccccc1-c1nc2cc(-c3ccccc3)ccc2o1.Oc1ccccc1-c1nc2cc(-c3ccccc3)ccc2s1.Oc1ccccc1-c1nc2ccccc2n1-c1ccccc1
InChIInChI=1S/C28H29N3O3.C20H16N2O.C19H15N3O.C19H14N2O.C19H13NO2.C19H13NOS/c1-5-6-13-34-20-9-12-21(19(4)16-20)26-29-27(22-10-7-17(2)14-24(22)32)31-28(30-26)23-11-8-18(3)15-25(23)33;1-14-8-2-5-11-17(14)22-18-12-6-4-10-16(18)21-20(22)15-9-3-7-13-19(15)23;1-13-7-2-4-9-15(13)22-16-10-6-12-20-18(16)21-19(22)14-8-3-5-11-17(14)23;22-18-13-7-4-10-15(18)19-20-16-11-5-6-12-17(16)21(19)14-8-2-1-3-9-14;2*21-17-9-5-4-8-15(17)19-20-16-12-14(10-11-18(16)22-19)13-6-2-1-3-7-13/h7-12,14-16,32-33H,5-6,13H2,1-4H3;2-13,23H,1H3;2-12,23H,1H3;1-13,22H;2*1-12,21H
InChIKeyKWSGUAPHXOBCML-UHFFFAOYSA-N
XLogP29.80
TPSA294.78 Ų
H-Bond Donors7
H-Bond Acceptors22
Rotatable Bonds17
Heavy Atoms146
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001934.31
LogP ≤ 529.80
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 2-[4-(4-butoxy-2-methylphenyl)-6-(2-hydroxy-4-methylphenyl)-1,3,5-triazin-2-yl]-5-methylphenol;2-[1-(2-methylphenyl)benzimidazol-2-yl]phenol;2-[1-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol;2-(1-phenylbenzimidazol-2-yl)phenol;2-(5-phenyl-1,3-benzothiazol-2-yl)phenol;2-(5-phenyl-1,3-benzoxazol-2-yl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-(6-Methoxy-3-pyridinyl)-4-(1-methylbenzimidazol-2-yl)-1,3-benzothiazol-2-yl]-1,3-benzoxazole
CID 141175830
5-(1H-benzimidazol-2-yl)-2-(1,3-benzothiazol-2-yl)-4-imidazo[1,2-a]pyridin-2-yl-6-(3H-indol-2-yl)-1,3-benzoxazole
CID 141412473
8-[2-([1]Benzofuro[3,2-b]carbazol-11-yl)-1,3-benzothiazol-5-yl]-11-[5-[11-(1-methylbenzimidazol-2-yl)-[1]benzofuro[3,2-b]carbazol-8-yl]-1,3-benzoxazol-2-yl]-[1]benzofuro[3,2-b]carbazole
CID 146407252
2-[6-(1,3-Benzothiazol-2-yl)-9-[5-(1-naphthalen-1-ylbenzimidazol-2-yl)-2-pyridinyl]carbazol-3-yl]-1,3-benzoxazole
CID 155366591
2-[6-(1,3-Benzothiazol-2-yl)-9-[5-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]carbazol-3-yl]-6-phenyl-1,3-benzoxazole
CID 155366774
2-[6-(1,3-Benzothiazol-2-yl)-3,8-bis(9,9-dimethylacridin-10-yl)phenanthren-1-yl]-1,3-benzothiazole;2-[6-(1,3-benzoxazol-2-yl)-3,8-bis(9,9-dimethylacridin-10-yl)phenanthren-1-yl]-1,3-benzoxazole;2-[1,6-bis(9,9-dimethylacridin-10-yl)-8-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenanthren-3-yl]-[1,3]oxazolo[5,4-b]pyridine;10-[6-(9,9-dimethylacridin-10-yl)-3,8-bis(1-phenylbenzimidazol-2-yl)phenanthren-1-yl]-9,9-dimethylacridine
CID 157063066
2-(1H-benzimidazol-2-yl)-5-(diethylamino)-3-methylphenol;2-(1H-benzimidazol-2-yl)-5-methylaniline;2-(1H-benzimidazol-2-yl)-5-methylphenol;2-(1,3-benzothiazol-2-yl)-5-methylphenol;2-(1,3-benzoxazol-2-yl)-5-methylphenol
CID 157081567
Beryllium;dizinc;2-(1,3-benzothiazol-2-yl)benzenethiolate;bis(2-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)benzenethiolate);2-(1,3-benzothiazol-2-yl)phenol;2-(1,3-benzoxazol-3-ium-2-yl)phenolate;2-isoquinolin-1-ylbenzenethiolate;2-(1-phenylbenzimidazol-2-yl)phenol;quinolin-1-ium-8-olate;ZINC
CID 157094102
1-Methyl-2-(4-triphenylen-2-ylphenyl)benzimidazole;1-methyl-6-(4-triphenylen-2-ylphenyl)benzimidazole;1-methyl-6-(6-triphenylen-2-yl-2-pyridinyl)benzimidazole;6-(4-triphenylen-2-ylphenyl)-1,3-benzothiazole;2-(4-triphenylen-2-ylphenyl)-1,3-benzoxazole;6-(4-triphenylen-2-ylphenyl)-1,3-benzoxazole;6-(6-triphenylen-2-yl-2-pyridinyl)-1,3-benzoxazole
CID 157161000
4-(1H-benzimidazol-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(1,3-benzothiazol-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(1,3-benzoxazol-5-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(2,3-dihydro-1H-isoindol-5-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;hydrochloride
CID 157193654
3-[4-[4-(1,3-Benzothiazol-2-yl)phenyl]naphthalen-1-yl]-5-(3-cyanophenyl)benzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-(4-carbazol-9-ylphenyl)benzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-(3-cyanophenyl)benzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-phenanthren-9-ylbenzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-(4-pyridin-2-ylphenyl)benzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-(4-quinolin-8-ylphenyl)benzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-triphenylen-2-ylbenzonitrile;3-phenanthren-9-yl-5-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]benzonitrile;3-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]-5-triphenylen-2-ylbenzonitrile
CID 157211925
ethane;1-methyl-6-propan-2-ylbenzimidazole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-indol-4-ol;6-propan-2-ylisoquinoline;2-propan-2-yl-1,5-naphthyridine;3-propan-2-yl-1,8-naphthyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;6-propan-2-ylquinazoline;3-propan-2-ylquinoline;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine
CID 157249492

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-butoxy-2-methylphenyl)-6-(2-hydroxy-4-methylphenyl)-1,3,5-triazin-2-yl]-5-methylphenol;2-[1-(2-methylphenyl)benzimidazol-2-yl]phenol;2-[1-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol;2-(1-phenylbenzimidazol-2-yl)phenol;2-(5-phenyl-1,3-benzothiazol-2-yl)phenol;2-(5-phenyl-1,3-benzoxazol-2-yl)phenol?
The IUPAC name of 2-[4-(4-butoxy-2-methylphenyl)-6-(2-hydroxy-4-methylphenyl)-1,3,5-triazin-2-yl]-5-methylphenol;2-[1-(2-methylphenyl)benzimidazol-2-yl]phenol;2-[1-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol;2-(1-phenylbenzimidazol-2-yl)phenol;2-(5-phenyl-1,3-benzothiazol-2-yl)phenol;2-(5-phenyl-1,3-benzoxazol-2-yl)phenol (CID 159262759) is 2-[4-(4-butoxy-2-methylphenyl)-6-(2-hydroxy-4-methylphenyl)-1,3,5-triazin-2-yl]-5-methylphenol;2-[1-(2-methylphenyl)benzimidazol-2-yl]phenol;2-[1-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol;2-(1-phenylbenzimidazol-2-yl)phenol;2-(5-phenyl-1,3-benzothiazol-2-yl)phenol;2-(5-phenyl-1,3-benzoxazol-2-yl)phenol.
What is the SMILES notation for 2-[4-(4-butoxy-2-methylphenyl)-6-(2-hydroxy-4-methylphenyl)-1,3,5-triazin-2-yl]-5-methylphenol;2-[1-(2-methylphenyl)benzimidazol-2-yl]phenol;2-[1-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol;2-(1-phenylbenzimidazol-2-yl)phenol;2-(5-phenyl-1,3-benzothiazol-2-yl)phenol;2-(5-phenyl-1,3-benzoxazol-2-yl)phenol?
The canonical SMILES for 2-[4-(4-butoxy-2-methylphenyl)-6-(2-hydroxy-4-methylphenyl)-1,3,5-triazin-2-yl]-5-methylphenol;2-[1-(2-methylphenyl)benzimidazol-2-yl]phenol;2-[1-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol;2-(1-phenylbenzimidazol-2-yl)phenol;2-(5-phenyl-1,3-benzothiazol-2-yl)phenol;2-(5-phenyl-1,3-benzoxazol-2-yl)phenol is CCCCOc1ccc(-c2nc(-c3ccc(C)cc3O)nc(-c3ccc(C)cc3O)n2)c(C)c1.Cc1ccccc1-n1c(-c2ccccc2O)nc2ccccc21.Cc1ccccc1-n1c(-c2ccccc2O)nc2ncccc21.Oc1ccccc1-c1nc2cc(-c3ccccc3)ccc2o1.Oc1ccccc1-c1nc2cc(-c3ccccc3)ccc2s1.Oc1ccccc1-c1nc2ccccc2n1-c1ccccc1.
What is the InChIKey of 2-[4-(4-butoxy-2-methylphenyl)-6-(2-hydroxy-4-methylphenyl)-1,3,5-triazin-2-yl]-5-methylphenol;2-[1-(2-methylphenyl)benzimidazol-2-yl]phenol;2-[1-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol;2-(1-phenylbenzimidazol-2-yl)phenol;2-(5-phenyl-1,3-benzothiazol-2-yl)phenol;2-(5-phenyl-1,3-benzoxazol-2-yl)phenol?
The InChIKey is KWSGUAPHXOBCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O3.C20H16N2O.C19H15N3O.C19H14N2O.C19H13NO2.C19H13NOS/c1-5-6-13-34-20-9-12-21(19(4)16-20)26-29-27(22-10-7-17(2)14-24(22)32)31-28(30-26)23-11-8-18(3)15-25(23)33;1-14-8-2-5-11-17(14)22-18-12-6-4-10-16(18)21-20(22)15-9-3-7-13-19(15)23;1-13-7-2-4-9-15(13)22-16-10-6-12-20-18(16)21-19(22)14-8-3-5-11-17(14)23;22-18-13-7-4-10-15(18)19-20-16-11-5-6-12-17(16)21(19)14-8-2-1-3-9-14;2*21-17-9-5-4-8-15(17)19-20-16-12-14(10-11-18(16)22-19)13-6-2-1-3-7-13/h7-12,14-16,32-33H,5-6,13H2,1-4H3;2-13,23H,1H3;2-12,23H,1H3;1-13,22H;2*1-12,21H.
What are the key properties of 2-[4-(4-butoxy-2-methylphenyl)-6-(2-hydroxy-4-methylphenyl)-1,3,5-triazin-2-yl]-5-methylphenol;2-[1-(2-methylphenyl)benzimidazol-2-yl]phenol;2-[1-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol;2-(1-phenylbenzimidazol-2-yl)phenol;2-(5-phenyl-1,3-benzothiazol-2-yl)phenol;2-(5-phenyl-1,3-benzoxazol-2-yl)phenol?
2-[4-(4-butoxy-2-methylphenyl)-6-(2-hydroxy-4-methylphenyl)-1,3,5-triazin-2-yl]-5-methylphenol;2-[1-(2-methylphenyl)benzimidazol-2-yl]phenol;2-[1-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol;2-(1-phenylbenzimidazol-2-yl)phenol;2-(5-phenyl-1,3-benzothiazol-2-yl)phenol;2-(5-phenyl-1,3-benzoxazol-2-yl)phenol has a molecular weight of 1934.31 g/mol, XLogP of 29.80, 17 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-butoxy-2-methylphenyl)-6-(2-hydroxy-4-methylphenyl)-1,3,5-triazin-2-yl]-5-methylphenol;2-[1-(2-methylphenyl)benzimidazol-2-yl]phenol;2-[1-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol;2-(1-phenylbenzimidazol-2-yl)phenol;2-(5-phenyl-1,3-benzothiazol-2-yl)phenol;2-(5-phenyl-1,3-benzoxazol-2-yl)phenol is sourced from PubChem (CID 159262759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).