4-[7-(2-ethoxy-3-pyridinyl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;methane

C21H24N4O2 — CID 158037863

IUPAC4-[7-(2-ethoxy-3-pyridinyl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;methane
SMILESC.CCOc1ncccc1-c1cc(-c2c(C)noc2C)cc2[nH]c(C)nc12
InChIInChI=1S/C20H20N4O2.CH4/c1-5-25-20-15(7-6-8-21-20)16-9-14(18-11(2)24-26-12(18)3)10-17-19(16)23-13(4)22-17;/h6-10H,5H2,1-4H3,(H,22,23);1H4
InChIKeyFHZGBOIAFMZBIS-UHFFFAOYSA-N
MW364.45 g/mol
LogP5.24
Rot. Bonds4

About 4-[7-(2-ethoxy-3-pyridinyl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;methane

4-[7-(2-ethoxy-3-pyridinyl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;methane (PubChem CID 158037863) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-[7-(2-ethoxy-3-pyridinyl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;methane.

Molecular Properties

Compound Name4-[7-(2-ethoxy-3-pyridinyl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;methane
PubChem CID158037863
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name4-[7-(2-ethoxy-3-pyridinyl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;methane
SMILESC.CCOc1ncccc1-c1cc(-c2c(C)noc2C)cc2[nH]c(C)nc12
InChIInChI=1S/C20H20N4O2.CH4/c1-5-25-20-15(7-6-8-21-20)16-9-14(18-11(2)24-26-12(18)3)10-17-19(16)23-13(4)22-17;/h6-10H,5H2,1-4H3,(H,22,23);1H4
InChIKeyFHZGBOIAFMZBIS-UHFFFAOYSA-N
XLogP5.24
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.45
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methane;4-[7-(4-methoxy-3-pyridinyl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
CID 158678498
3,5-dimethyl-4-[2-methyl-7-(3-methyl-1,2-thiazol-4-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;methane
CID 159721268
3,5-dimethyl-4-[2-methyl-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;4-(7-iodo-2-methyl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole
CID 159395312
4-[7-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;methane
CID 159241514
CID 159367437
CID 159367437
4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-dimethyl-1H-benzimidazol-2-amine
CID 121293110
4-[2-butan-2-yl-7-(4-methyl-3-pyridinyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
CID 144744363
4-[7-(2-benzylphenyl)-2-cyclopropyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
CID 86282010
3-bromo-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzene-1,2-diamine;4-(7-bromo-2-ethoxy-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-ethoxy-1H-benzimidazol-4-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole;methane;triethoxymethoxyethane
CID 157371671
3,5-dimethyl-4-[7-(2-methyl-3-pyridinyl)-1H-indazol-5-yl]-1,2-oxazole
CID 121293057
3,5-dimethyl-4-[2-methyl-7-[(E)-2-phenylethenyl]-3H-benzimidazol-5-yl]-1,2-oxazole;3,5-dimethyl-4-[2-methyl-7-(2-phenylethyl)-3H-benzimidazol-5-yl]-1,2-oxazole;ethanol
CID 158902719
3,5-dimethyl-4-[7-(4-methyl-3-pyridinyl)-2-pyrrolidin-1-yl-3H-benzimidazol-5-yl]-1,2-oxazole
CID 121434478

Frequently Asked Questions

What is the IUPAC name of 4-[7-(2-ethoxy-3-pyridinyl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;methane?
The IUPAC name of 4-[7-(2-ethoxy-3-pyridinyl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;methane (CID 158037863) is 4-[7-(2-ethoxy-3-pyridinyl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;methane.
What is the SMILES notation for 4-[7-(2-ethoxy-3-pyridinyl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;methane?
The canonical SMILES for 4-[7-(2-ethoxy-3-pyridinyl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;methane is C.CCOc1ncccc1-c1cc(-c2c(C)noc2C)cc2[nH]c(C)nc12.
What is the InChIKey of 4-[7-(2-ethoxy-3-pyridinyl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;methane?
The InChIKey is FHZGBOIAFMZBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2.CH4/c1-5-25-20-15(7-6-8-21-20)16-9-14(18-11(2)24-26-12(18)3)10-17-19(16)23-13(4)22-17;/h6-10H,5H2,1-4H3,(H,22,23);1H4.
What are the key properties of 4-[7-(2-ethoxy-3-pyridinyl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;methane?
4-[7-(2-ethoxy-3-pyridinyl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;methane has a molecular weight of 364.45 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(2-ethoxy-3-pyridinyl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;methane is sourced from PubChem (CID 158037863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).