5-(4-chlorophenyl)-2-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-1,3-oxazole

C22H12Cl3N3O — CID 25235860

IUPAC5-(4-chlorophenyl)-2-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-1,3-oxazole
SMILESClc1ccc(-c2cnc(-c3ccc4nc(-c5c(Cl)cccc5Cl)[nH]c4c3)o2)cc1
InChIInChI=1S/C22H12Cl3N3O/c23-14-7-4-12(5-8-14)19-11-26-22(29-19)13-6-9-17-18(10-13)28-21(27-17)20-15(24)2-1-3-16(20)25/h1-11H,(H,27,28)
InChIKeyVCAFQDZGTWSJAS-UHFFFAOYSA-N
MW440.72 g/mol
LogP7.51
Rot. Bonds3

About 5-(4-chlorophenyl)-2-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-1,3-oxazole

5-(4-chlorophenyl)-2-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-1,3-oxazole (PubChem CID 25235860) has the molecular formula C22H12Cl3N3O and a molecular weight of 440.72 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-1,3-oxazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-1,3-oxazole
PubChem CID25235860
Molecular FormulaC22H12Cl3N3O
Molecular Weight440.72 g/mol
Exact Mass439.00
IUPAC Name5-(4-chlorophenyl)-2-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-1,3-oxazole
SMILESClc1ccc(-c2cnc(-c3ccc4nc(-c5c(Cl)cccc5Cl)[nH]c4c3)o2)cc1
InChIInChI=1S/C22H12Cl3N3O/c23-14-7-4-12(5-8-14)19-11-26-22(29-19)13-6-9-17-18(10-13)28-21(27-17)20-15(24)2-1-3-16(20)25/h1-11H,(H,27,28)
InChIKeyVCAFQDZGTWSJAS-UHFFFAOYSA-N
XLogP7.51
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.72
LogP ≤ 57.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[(2R)-2-(dimethylamino)-2-phenyl-acetyl]-N-[4-[5-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenyl-acetyl]pyrrolidin-2-yl]-1H-benzimidazol-5-yl]oxazol-2-yl]phenyl]pyrrolidine-2-carboxamide
CID 46893268
(2S)-1-[(2R)-2-(dimethylamino)-2-phenyl-acetyl]-N-[3-[5-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenyl-acetyl]pyrrolidin-2-yl]-1H-benzimidazol-5-yl]oxazol-2-yl]phenyl]pyrrolidine-2-carboxamide
CID 58384795
6-[5-(4-Chloro-phenyl)-[1,3,4]oxadiazol-2-yl]-2-(2,6-dichloro-phenyl)-1H-benzoimidazole
CID 25235717
(2R)-2-(dimethylamino)-1-[(2S)-2-[5-[2-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenyl-acetyl]pyrrolidin-2-yl]-1H-benzimidazol-5-yl]oxazol-5-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-2-phenyl-ethanone
CID 59237076
US10035777, Example 104
CID 118880563
US10035777, Example 105
CID 118880578
2-(4-chlorobenzyl)-N-methyl-N-[(4-methyl-1H-imidazol-2-yl)methyl]-1,3-benzoxazole-5-carboxamide
CID 24790759
3-(4-chlorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-2-phenoxyquinoxaline-6-carboxamide
CID 118453976
US10035777, Example 5
CID 118864403
US10035777, Example 102
CID 118864454
US10035777, Example 103
CID 118864481
US10035777, Example 65
CID 118880515

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-1,3-oxazole?
The IUPAC name of 5-(4-chlorophenyl)-2-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-1,3-oxazole (CID 25235860) is 5-(4-chlorophenyl)-2-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-1,3-oxazole.
What is the SMILES notation for 5-(4-chlorophenyl)-2-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-1,3-oxazole?
The canonical SMILES for 5-(4-chlorophenyl)-2-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-1,3-oxazole is Clc1ccc(-c2cnc(-c3ccc4nc(-c5c(Cl)cccc5Cl)[nH]c4c3)o2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-2-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-1,3-oxazole?
The InChIKey is VCAFQDZGTWSJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12Cl3N3O/c23-14-7-4-12(5-8-14)19-11-26-22(29-19)13-6-9-17-18(10-13)28-21(27-17)20-15(24)2-1-3-16(20)25/h1-11H,(H,27,28).
What are the key properties of 5-(4-chlorophenyl)-2-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-1,3-oxazole?
5-(4-chlorophenyl)-2-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-1,3-oxazole has a molecular weight of 440.72 g/mol, XLogP of 7.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-1,3-oxazole is sourced from PubChem (CID 25235860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).