2-ethyl-4-methoxy-3,5-dimethylpyridine;4-methoxy-3,5-dimethyl-2-propylpyridine;2-methyl-1-(2-phenylethyl)benzimidazole-5-carboxylic acid

C38H48N4O4 — CID 142306412

IUPAC2-ethyl-4-methoxy-3,5-dimethylpyridine;4-methoxy-3,5-dimethyl-2-propylpyridine;2-methyl-1-(2-phenylethyl)benzimidazole-5-carboxylic acid
SMILESCCCc1ncc(C)c(OC)c1C.CCc1ncc(C)c(OC)c1C.Cc1nc2cc(C(=O)O)ccc2n1CCc1ccccc1
InChIInChI=1S/C17H16N2O2.C11H17NO.C10H15NO/c1-12-18-15-11-14(17(20)21)7-8-16(15)19(12)10-9-13-5-3-2-4-6-13;1-5-6-10-9(3)11(13-4)8(2)7-12-10;1-5-9-8(3)10(12-4)7(2)6-11-9/h2-8,11H,9-10H2,1H3,(H,20,21);7H,5-6H2,1-4H3;6H,5H2,1-4H3
InChIKeyYFOZYDBKHVVKLM-UHFFFAOYSA-N
MW624.83 g/mol
LogP8.21
Rot. Bonds9

About 2-ethyl-4-methoxy-3,5-dimethylpyridine;4-methoxy-3,5-dimethyl-2-propylpyridine;2-methyl-1-(2-phenylethyl)benzimidazole-5-carboxylic acid

2-ethyl-4-methoxy-3,5-dimethylpyridine;4-methoxy-3,5-dimethyl-2-propylpyridine;2-methyl-1-(2-phenylethyl)benzimidazole-5-carboxylic acid (PubChem CID 142306412) has the molecular formula C38H48N4O4 and a molecular weight of 624.83 g/mol. Its IUPAC name is 2-ethyl-4-methoxy-3,5-dimethylpyridine;4-methoxy-3,5-dimethyl-2-propylpyridine;2-methyl-1-(2-phenylethyl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-4-methoxy-3,5-dimethylpyridine;4-methoxy-3,5-dimethyl-2-propylpyridine;2-methyl-1-(2-phenylethyl)benzimidazole-5-carboxylic acid
PubChem CID142306412
Molecular FormulaC38H48N4O4
Molecular Weight624.83 g/mol
Exact Mass624.37
IUPAC Name2-ethyl-4-methoxy-3,5-dimethylpyridine;4-methoxy-3,5-dimethyl-2-propylpyridine;2-methyl-1-(2-phenylethyl)benzimidazole-5-carboxylic acid
SMILESCCCc1ncc(C)c(OC)c1C.CCc1ncc(C)c(OC)c1C.Cc1nc2cc(C(=O)O)ccc2n1CCc1ccccc1
InChIInChI=1S/C17H16N2O2.C11H17NO.C10H15NO/c1-12-18-15-11-14(17(20)21)7-8-16(15)19(12)10-9-13-5-3-2-4-6-13;1-5-6-10-9(3)11(13-4)8(2)7-12-10;1-5-9-8(3)10(12-4)7(2)6-11-9/h2-8,11H,9-10H2,1H3,(H,20,21);7H,5-6H2,1-4H3;6H,5H2,1-4H3
InChIKeyYFOZYDBKHVVKLM-UHFFFAOYSA-N
XLogP8.21
TPSA99.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.83
LogP ≤ 58.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-((4-(6-((4-Cyano-2-fluorophenyl)methoxy)-2-pyridinyl)-1-piperidinyl)methyl)-1-((2S)-2-oxetanylmethyl)-1H-benzimidazole-6-carboxylic acid
CID 134611040
4-[(3-{8-[(3,4-Dimethoxyphenyl)amino]imidazo[1,2-A]pyrazin-6-Yl}benzoyl)amino]benzoic Acid
CID 44189262
2-[(4-{6-[(2,4-difluorophenyl)methoxy]pyridin-2-yl}piperidin-1-yl)methyl]-1-[(1-ethyl-1H-imidazol-5-yl)methyl]-1H-benzimidazole-6-carboxylic acid
CID 134611223
3-((6-((3,5-Dimethylpyridin-2-yl)oxy)-1-methyl-1H-benzo[d]imidazol-2-yl)methoxy)benzoic acid
CID 46908905
4-(5-Pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)benzoic acid
CID 146315981
Methyl 4-(7-fluoro-6-pyridin-4-ylbenzimidazol-1-yl)benzoate
CID 146316027
2-[4-(Benzyloxy)phenyl]-1-cyclohexyl-1h-benzimidazole-5-carboxylic acid
CID 491098
2-[4-[Bis(4-fluorophenyl)methoxy]-2-fluoro-phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid
CID 10120254
1-Cyclohexyl-2-[4-(5-phenylpentoxy)phenyl]benzimidazole-5-carboxylic acid
CID 10140778
2-[4-(Biphenyl-2-ylmethoxy)-phenyl]-1-cyclohexyl-1H-benzoimidazole-5-carboxylic acid
CID 10141859
2-[4-(Biphenyl-2-yloxy)-phenyl]-1-cyclohexyl-1H-benzoimidazole-5-carboxylic acid
CID 10163324
2-(4-Benzhydryloxyphenyl)-1-cyclohexyl-benzimidazole-5-carboxylic acid
CID 10185481

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methoxy-3,5-dimethylpyridine;4-methoxy-3,5-dimethyl-2-propylpyridine;2-methyl-1-(2-phenylethyl)benzimidazole-5-carboxylic acid?
The IUPAC name of 2-ethyl-4-methoxy-3,5-dimethylpyridine;4-methoxy-3,5-dimethyl-2-propylpyridine;2-methyl-1-(2-phenylethyl)benzimidazole-5-carboxylic acid (CID 142306412) is 2-ethyl-4-methoxy-3,5-dimethylpyridine;4-methoxy-3,5-dimethyl-2-propylpyridine;2-methyl-1-(2-phenylethyl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-ethyl-4-methoxy-3,5-dimethylpyridine;4-methoxy-3,5-dimethyl-2-propylpyridine;2-methyl-1-(2-phenylethyl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-ethyl-4-methoxy-3,5-dimethylpyridine;4-methoxy-3,5-dimethyl-2-propylpyridine;2-methyl-1-(2-phenylethyl)benzimidazole-5-carboxylic acid is CCCc1ncc(C)c(OC)c1C.CCc1ncc(C)c(OC)c1C.Cc1nc2cc(C(=O)O)ccc2n1CCc1ccccc1.
What is the InChIKey of 2-ethyl-4-methoxy-3,5-dimethylpyridine;4-methoxy-3,5-dimethyl-2-propylpyridine;2-methyl-1-(2-phenylethyl)benzimidazole-5-carboxylic acid?
The InChIKey is YFOZYDBKHVVKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2.C11H17NO.C10H15NO/c1-12-18-15-11-14(17(20)21)7-8-16(15)19(12)10-9-13-5-3-2-4-6-13;1-5-6-10-9(3)11(13-4)8(2)7-12-10;1-5-9-8(3)10(12-4)7(2)6-11-9/h2-8,11H,9-10H2,1H3,(H,20,21);7H,5-6H2,1-4H3;6H,5H2,1-4H3.
What are the key properties of 2-ethyl-4-methoxy-3,5-dimethylpyridine;4-methoxy-3,5-dimethyl-2-propylpyridine;2-methyl-1-(2-phenylethyl)benzimidazole-5-carboxylic acid?
2-ethyl-4-methoxy-3,5-dimethylpyridine;4-methoxy-3,5-dimethyl-2-propylpyridine;2-methyl-1-(2-phenylethyl)benzimidazole-5-carboxylic acid has a molecular weight of 624.83 g/mol, XLogP of 8.21, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methoxy-3,5-dimethylpyridine;4-methoxy-3,5-dimethyl-2-propylpyridine;2-methyl-1-(2-phenylethyl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 142306412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).