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

C22H16ClF2N3O — CID 17007754

IUPACN-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-2-fluorobenzamide
SMILESO=C(NCc1nc2ccccc2n1Cc1c(F)cccc1Cl)c1ccccc1F
InChIInChI=1S/C22H16ClF2N3O/c23-16-7-5-9-18(25)15(16)13-28-20-11-4-3-10-19(20)27-21(28)12-26-22(29)14-6-1-2-8-17(14)24/h1-11H,12-13H2,(H,26,29)
InChIKeyZKXHJRQAJJFVFJ-UHFFFAOYSA-N
MW411.84 g/mol
LogP4.95
Rot. Bonds5

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

N-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-2-fluorobenzamide (PubChem CID 17007754) has the molecular formula C22H16ClF2N3O and a molecular weight of 411.84 g/mol. Its IUPAC name is N-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-2-fluorobenzamide
PubChem CID17007754
Molecular FormulaC22H16ClF2N3O
Molecular Weight411.84 g/mol
Exact Mass411.09
IUPAC NameN-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-2-fluorobenzamide
SMILESO=C(NCc1nc2ccccc2n1Cc1c(F)cccc1Cl)c1ccccc1F
InChIInChI=1S/C22H16ClF2N3O/c23-16-7-5-9-18(25)15(16)13-28-20-11-4-3-10-19(20)27-21(28)12-26-22(29)14-6-1-2-8-17(14)24/h1-11H,12-13H2,(H,26,29)
InChIKeyZKXHJRQAJJFVFJ-UHFFFAOYSA-N
XLogP4.95
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.84
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976055
N-[3-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]-2-fluorobenzamide
CID 16983008
3-bromo-N-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 17008077
2-fluoro-N-[[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 17007755
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
2-chloro-N-[2-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976056
2-chloro-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzamide
CID 17007409
2-fluoro-N-[(1-hexadecylbenzimidazol-2-yl)methyl]benzamide
CID 17007744
N-[5-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]pentyl]-2-methylpropanamide
CID 16988648
N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-(4-methoxyphenyl)acetamide
CID 16979580
2-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide
CID 17007726

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-2-fluorobenzamide?
The IUPAC name of N-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-2-fluorobenzamide (CID 17007754) is N-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-2-fluorobenzamide.
What is the SMILES notation for N-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-2-fluorobenzamide?
The canonical SMILES for N-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-2-fluorobenzamide is O=C(NCc1nc2ccccc2n1Cc1c(F)cccc1Cl)c1ccccc1F.
What is the InChIKey of N-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-2-fluorobenzamide?
The InChIKey is ZKXHJRQAJJFVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClF2N3O/c23-16-7-5-9-18(25)15(16)13-28-20-11-4-3-10-19(20)27-21(28)12-26-22(29)14-6-1-2-8-17(14)24/h1-11H,12-13H2,(H,26,29).
What are the key properties of N-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-2-fluorobenzamide?
N-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-2-fluorobenzamide has a molecular weight of 411.84 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-2-fluorobenzamide is sourced from PubChem (CID 17007754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).