2-[2-[7-chloro-1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]phenoxy]acetamide

C22H16Cl3N3O2 — CID 24995997

IUPAC2-[2-[7-chloro-1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]phenoxy]acetamide
SMILESNC(=O)COc1ccccc1-c1nc2cccc(Cl)c2n1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C22H16Cl3N3O2/c23-15-6-3-7-16(24)14(15)11-28-21-17(25)8-4-9-18(21)27-22(28)13-5-1-2-10-19(13)30-12-20(26)29/h1-10H,11-12H2,(H2,26,29)
InChIKeyWFMQIEAQFPXLGJ-UHFFFAOYSA-N
MW460.75 g/mol
LogP5.58
Rot. Bonds6

About 2-[2-[7-chloro-1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]phenoxy]acetamide

2-[2-[7-chloro-1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]phenoxy]acetamide (PubChem CID 24995997) has the molecular formula C22H16Cl3N3O2 and a molecular weight of 460.75 g/mol. Its IUPAC name is 2-[2-[7-chloro-1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[2-[7-chloro-1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]phenoxy]acetamide
PubChem CID24995997
Molecular FormulaC22H16Cl3N3O2
Molecular Weight460.75 g/mol
Exact Mass459.03
IUPAC Name2-[2-[7-chloro-1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]phenoxy]acetamide
SMILESNC(=O)COc1ccccc1-c1nc2cccc(Cl)c2n1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C22H16Cl3N3O2/c23-15-6-3-7-16(24)14(15)11-28-21-17(25)8-4-9-18(21)27-22(28)13-5-1-2-10-19(13)30-12-20(26)29/h1-10H,11-12H2,(H2,26,29)
InChIKeyWFMQIEAQFPXLGJ-UHFFFAOYSA-N
XLogP5.58
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.75
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[7-chloro-1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]phenoxy]acetamide?
The IUPAC name of 2-[2-[7-chloro-1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]phenoxy]acetamide (CID 24995997) is 2-[2-[7-chloro-1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]phenoxy]acetamide.
What is the SMILES notation for 2-[2-[7-chloro-1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]phenoxy]acetamide?
The canonical SMILES for 2-[2-[7-chloro-1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]phenoxy]acetamide is NC(=O)COc1ccccc1-c1nc2cccc(Cl)c2n1Cc1c(Cl)cccc1Cl.
What is the InChIKey of 2-[2-[7-chloro-1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]phenoxy]acetamide?
The InChIKey is WFMQIEAQFPXLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl3N3O2/c23-15-6-3-7-16(24)14(15)11-28-21-17(25)8-4-9-18(21)27-22(28)13-5-1-2-10-19(13)30-12-20(26)29/h1-10H,11-12H2,(H2,26,29).
What are the key properties of 2-[2-[7-chloro-1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]phenoxy]acetamide?
2-[2-[7-chloro-1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]phenoxy]acetamide has a molecular weight of 460.75 g/mol, XLogP of 5.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[7-chloro-1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]phenoxy]acetamide is sourced from PubChem (CID 24995997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).