2-chloro-N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide

C23H18Cl2FN3O — CID 16976055

IUPAC2-chloro-N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
SMILESO=C(NCCc1nc2ccccc2n1Cc1c(F)cccc1Cl)c1ccccc1Cl
InChIInChI=1S/C23H18Cl2FN3O/c24-17-7-2-1-6-15(17)23(30)27-13-12-22-28-20-10-3-4-11-21(20)29(22)14-16-18(25)8-5-9-19(16)26/h1-11H,12-14H2,(H,27,30)
InChIKeyNENBYPVGLLVKPG-UHFFFAOYSA-N
MW442.32 g/mol
LogP5.50
Rot. Bonds6

About 2-chloro-N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide

2-chloro-N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide (PubChem CID 16976055) has the molecular formula C23H18Cl2FN3O and a molecular weight of 442.32 g/mol. Its IUPAC name is 2-chloro-N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
PubChem CID16976055
Molecular FormulaC23H18Cl2FN3O
Molecular Weight442.32 g/mol
Exact Mass441.08
IUPAC Name2-chloro-N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
SMILESO=C(NCCc1nc2ccccc2n1Cc1c(F)cccc1Cl)c1ccccc1Cl
InChIInChI=1S/C23H18Cl2FN3O/c24-17-7-2-1-6-15(17)23(30)27-13-12-22-28-20-10-3-4-11-21(20)29(22)14-16-18(25)8-5-9-19(16)26/h1-11H,12-14H2,(H,27,30)
InChIKeyNENBYPVGLLVKPG-UHFFFAOYSA-N
XLogP5.50
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.32
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[2-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976056
N-[3-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]-2-fluorobenzamide
CID 16983008
N-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-2-fluorobenzamide
CID 17007754
N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide
CID 16976532
N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 3164527
N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-(4-methoxyphenyl)acetamide
CID 16979580
N-[5-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]pentyl]-4-fluorobenzamide
CID 16991726
N-[5-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide
CID 16993346
N-[5-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]pentyl]-2-methylpropanamide
CID 16988648
4-bromo-N-[2-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977457
3-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]propan-1-ol
CID 2947354
N-[2-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-ethylbutanamide
CID 16974719

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide (CID 16976055) is 2-chloro-N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide is O=C(NCCc1nc2ccccc2n1Cc1c(F)cccc1Cl)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide?
The InChIKey is NENBYPVGLLVKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2FN3O/c24-17-7-2-1-6-15(17)23(30)27-13-12-22-28-20-10-3-4-11-21(20)29(22)14-16-18(25)8-5-9-19(16)26/h1-11H,12-14H2,(H,27,30).
What are the key properties of 2-chloro-N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide?
2-chloro-N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 442.32 g/mol, XLogP of 5.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 16976055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).