2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(3,4-dimethoxyphenyl)acetamide

C24H20Cl2FN3O3 — CID 83284817

IUPAC2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2c(Cc3ccccc3F)nc3cc(Cl)c(Cl)cc32)cc1OC
InChIInChI=1S/C24H20Cl2FN3O3/c1-32-21-8-7-15(10-22(21)33-2)28-24(31)13-30-20-12-17(26)16(25)11-19(20)29-23(30)9-14-5-3-4-6-18(14)27/h3-8,10-12H,9,13H2,1-2H3,(H,28,31)
InChIKeyQKEFIRGIUBVXIH-UHFFFAOYSA-N
MW488.35 g/mol
LogP5.73
Rot. Bonds7

About 2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(3,4-dimethoxyphenyl)acetamide

2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(3,4-dimethoxyphenyl)acetamide (PubChem CID 83284817) has the molecular formula C24H20Cl2FN3O3 and a molecular weight of 488.35 g/mol. Its IUPAC name is 2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(3,4-dimethoxyphenyl)acetamide
PubChem CID83284817
Molecular FormulaC24H20Cl2FN3O3
Molecular Weight488.35 g/mol
Exact Mass487.09
IUPAC Name2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2c(Cc3ccccc3F)nc3cc(Cl)c(Cl)cc32)cc1OC
InChIInChI=1S/C24H20Cl2FN3O3/c1-32-21-8-7-15(10-22(21)33-2)28-24(31)13-30-20-12-17(26)16(25)11-19(20)29-23(30)9-14-5-3-4-6-18(14)27/h3-8,10-12H,9,13H2,1-2H3,(H,28,31)
InChIKeyQKEFIRGIUBVXIH-UHFFFAOYSA-N
XLogP5.73
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.35
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(3,4-dimethoxyphenyl)acetamide (CID 83284817) is 2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(3,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)Cn2c(Cc3ccccc3F)nc3cc(Cl)c(Cl)cc32)cc1OC.
What is the InChIKey of 2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is QKEFIRGIUBVXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2FN3O3/c1-32-21-8-7-15(10-22(21)33-2)28-24(31)13-30-20-12-17(26)16(25)11-19(20)29-23(30)9-14-5-3-4-6-18(14)27/h3-8,10-12H,9,13H2,1-2H3,(H,28,31).
What are the key properties of 2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(3,4-dimethoxyphenyl)acetamide?
2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 488.35 g/mol, XLogP of 5.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 83284817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).