[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(5,6-dimethylbenzimidazol-1-yl)methanone

C20H15Cl2N3O2 — CID 1212426

IUPAC[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(5,6-dimethylbenzimidazol-1-yl)methanone
SMILESCc1cc2ncn(C(=O)c3c(-c4c(Cl)cccc4Cl)noc3C)c2cc1C
InChIInChI=1S/C20H15Cl2N3O2/c1-10-7-15-16(8-11(10)2)25(9-23-15)20(26)17-12(3)27-24-19(17)18-13(21)5-4-6-14(18)22/h4-9H,1-3H3
InChIKeyJCJVKOMWHQRYJV-UHFFFAOYSA-N
MW400.27 g/mol
LogP5.61
Rot. Bonds2

About [3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(5,6-dimethylbenzimidazol-1-yl)methanone

[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(5,6-dimethylbenzimidazol-1-yl)methanone (PubChem CID 1212426) has the molecular formula C20H15Cl2N3O2 and a molecular weight of 400.27 g/mol. Its IUPAC name is [3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(5,6-dimethylbenzimidazol-1-yl)methanone.

Molecular Properties

Compound Name[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(5,6-dimethylbenzimidazol-1-yl)methanone
PubChem CID1212426
Molecular FormulaC20H15Cl2N3O2
Molecular Weight400.27 g/mol
Exact Mass399.05
IUPAC Name[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(5,6-dimethylbenzimidazol-1-yl)methanone
SMILESCc1cc2ncn(C(=O)c3c(-c4c(Cl)cccc4Cl)noc3C)c2cc1C
InChIInChI=1S/C20H15Cl2N3O2/c1-10-7-15-16(8-11(10)2)25(9-23-15)20(26)17-12(3)27-24-19(17)18-13(21)5-4-6-14(18)22/h4-9H,1-3H3
InChIKeyJCJVKOMWHQRYJV-UHFFFAOYSA-N
XLogP5.61
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.27
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(5,6-dimethylbenzimidazol-1-yl)methanone?
The IUPAC name of [3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(5,6-dimethylbenzimidazol-1-yl)methanone (CID 1212426) is [3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(5,6-dimethylbenzimidazol-1-yl)methanone.
What is the SMILES notation for [3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(5,6-dimethylbenzimidazol-1-yl)methanone?
The canonical SMILES for [3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(5,6-dimethylbenzimidazol-1-yl)methanone is Cc1cc2ncn(C(=O)c3c(-c4c(Cl)cccc4Cl)noc3C)c2cc1C.
What is the InChIKey of [3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(5,6-dimethylbenzimidazol-1-yl)methanone?
The InChIKey is JCJVKOMWHQRYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2N3O2/c1-10-7-15-16(8-11(10)2)25(9-23-15)20(26)17-12(3)27-24-19(17)18-13(21)5-4-6-14(18)22/h4-9H,1-3H3.
What are the key properties of [3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(5,6-dimethylbenzimidazol-1-yl)methanone?
[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(5,6-dimethylbenzimidazol-1-yl)methanone has a molecular weight of 400.27 g/mol, XLogP of 5.61, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(5,6-dimethylbenzimidazol-1-yl)methanone is sourced from PubChem (CID 1212426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).