3-ethyl-4-[1-(4-methoxyphenyl)benzimidazol-2-yl]-5-methyl-1,2-oxazole

C20H19N3O2 — CID 57424033

IUPAC3-ethyl-4-[1-(4-methoxyphenyl)benzimidazol-2-yl]-5-methyl-1,2-oxazole
SMILESCCc1noc(C)c1-c1nc2ccccc2n1-c1ccc(OC)cc1
InChIInChI=1S/C20H19N3O2/c1-4-16-19(13(2)25-22-16)20-21-17-7-5-6-8-18(17)23(20)14-9-11-15(24-3)12-10-14/h5-12H,4H2,1-3H3
InChIKeyVTFKLWHTNGGHPO-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.56
Rot. Bonds4

About 3-ethyl-4-[1-(4-methoxyphenyl)benzimidazol-2-yl]-5-methyl-1,2-oxazole

3-ethyl-4-[1-(4-methoxyphenyl)benzimidazol-2-yl]-5-methyl-1,2-oxazole (PubChem CID 57424033) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 3-ethyl-4-[1-(4-methoxyphenyl)benzimidazol-2-yl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-ethyl-4-[1-(4-methoxyphenyl)benzimidazol-2-yl]-5-methyl-1,2-oxazole
PubChem CID57424033
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name3-ethyl-4-[1-(4-methoxyphenyl)benzimidazol-2-yl]-5-methyl-1,2-oxazole
SMILESCCc1noc(C)c1-c1nc2ccccc2n1-c1ccc(OC)cc1
InChIInChI=1S/C20H19N3O2/c1-4-16-19(13(2)25-22-16)20-21-17-7-5-6-8-18(17)23(20)14-9-11-15(24-3)12-10-14/h5-12H,4H2,1-3H3
InChIKeyVTFKLWHTNGGHPO-UHFFFAOYSA-N
XLogP4.56
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-2-(4-methoxyphenyl)benzimidazole
CID 19353947
1-(4-bromophenyl)-2-(4-methoxyphenyl)benzimidazole
CID 134817006
1-(4-fluorophenyl)-2-(4-methoxyphenyl)benzimidazole
CID 134816858
1-(4-methoxyphenyl)-2-thiophen-3-ylbenzimidazole
CID 57424026
2-(2,4-dimethoxyphenyl)-1-phenylbenzimidazole
CID 86118323
2-(4-methoxyphenyl)-1-(6-methoxy-3-pyridinyl)benzimidazole
CID 102212973
1-(4-ethoxyphenyl)benzimidazol-2-amine
CID 43148828
1-(4-methoxyphenyl)-2-pyrrolidin-1-ylbenzimidazole
CID 44551198
1-(4-chlorophenyl)-2-(3-methoxyphenyl)benzimidazole
CID 134816857
1-phenyl-2-(1-phenylbenzimidazol-2-yl)benzimidazole
CID 44622931
1,2-diphenylbenzimidazole;ethane;iridium;propane
CID 142394497
1-phenyl-2-[4-[4-(1-phenylbenzimidazol-2-yl)phenoxy]phenyl]benzimidazole
CID 141099436

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[1-(4-methoxyphenyl)benzimidazol-2-yl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-ethyl-4-[1-(4-methoxyphenyl)benzimidazol-2-yl]-5-methyl-1,2-oxazole (CID 57424033) is 3-ethyl-4-[1-(4-methoxyphenyl)benzimidazol-2-yl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-ethyl-4-[1-(4-methoxyphenyl)benzimidazol-2-yl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-ethyl-4-[1-(4-methoxyphenyl)benzimidazol-2-yl]-5-methyl-1,2-oxazole is CCc1noc(C)c1-c1nc2ccccc2n1-c1ccc(OC)cc1.
What is the InChIKey of 3-ethyl-4-[1-(4-methoxyphenyl)benzimidazol-2-yl]-5-methyl-1,2-oxazole?
The InChIKey is VTFKLWHTNGGHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-4-16-19(13(2)25-22-16)20-21-17-7-5-6-8-18(17)23(20)14-9-11-15(24-3)12-10-14/h5-12H,4H2,1-3H3.
What are the key properties of 3-ethyl-4-[1-(4-methoxyphenyl)benzimidazol-2-yl]-5-methyl-1,2-oxazole?
3-ethyl-4-[1-(4-methoxyphenyl)benzimidazol-2-yl]-5-methyl-1,2-oxazole has a molecular weight of 333.39 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[1-(4-methoxyphenyl)benzimidazol-2-yl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 57424033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).