N-[5-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]pentyl]-4-fluorobenzamide

C26H24ClF2N3O — CID 16991726

IUPACN-[5-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]pentyl]-4-fluorobenzamide
SMILESO=C(NCCCCCc1nc2ccccc2n1Cc1c(F)cccc1Cl)c1ccc(F)cc1
InChIInChI=1S/C26H24ClF2N3O/c27-21-7-6-8-22(29)20(21)17-32-24-10-4-3-9-23(24)31-25(32)11-2-1-5-16-30-26(33)18-12-14-19(28)15-13-18/h3-4,6-10,12-15H,1-2,5,11,16-17H2,(H,30,33)
InChIKeyKSTCSLKOVDQBHP-UHFFFAOYSA-N
MW467.95 g/mol
LogP6.16
Rot. Bonds9

About N-[5-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]pentyl]-4-fluorobenzamide

N-[5-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]pentyl]-4-fluorobenzamide (PubChem CID 16991726) has the molecular formula C26H24ClF2N3O and a molecular weight of 467.95 g/mol. Its IUPAC name is N-[5-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]pentyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[5-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]pentyl]-4-fluorobenzamide
PubChem CID16991726
Molecular FormulaC26H24ClF2N3O
Molecular Weight467.95 g/mol
Exact Mass467.16
IUPAC NameN-[5-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]pentyl]-4-fluorobenzamide
SMILESO=C(NCCCCCc1nc2ccccc2n1Cc1c(F)cccc1Cl)c1ccc(F)cc1
InChIInChI=1S/C26H24ClF2N3O/c27-21-7-6-8-22(29)20(21)17-32-24-10-4-3-9-23(24)31-25(32)11-2-1-5-16-30-26(33)18-12-14-19(28)15-13-18/h3-4,6-10,12-15H,1-2,5,11,16-17H2,(H,30,33)
InChIKeyKSTCSLKOVDQBHP-UHFFFAOYSA-N
XLogP6.16
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.95
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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
N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide
CID 16976532
4-fluoro-N-[5-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991724
4-fluoro-N-[5-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991738
2-chloro-N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976055
3-chloro-N-[5-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990438
N-[3-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]-2-fluorobenzamide
CID 16983008
N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-4-fluorobenzamide
CID 16977299
4-fluoro-N-[5-(1-propylbenzimidazol-2-yl)pentyl]benzamide
CID 16991699
N-[3-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]propyl]-3-phenylpropanamide
CID 16986020
4-chloro-N-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propyl]benzamide
CID 4630378

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]pentyl]-4-fluorobenzamide?
The IUPAC name of N-[5-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]pentyl]-4-fluorobenzamide (CID 16991726) is N-[5-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]pentyl]-4-fluorobenzamide.
What is the SMILES notation for N-[5-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]pentyl]-4-fluorobenzamide?
The canonical SMILES for N-[5-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]pentyl]-4-fluorobenzamide is O=C(NCCCCCc1nc2ccccc2n1Cc1c(F)cccc1Cl)c1ccc(F)cc1.
What is the InChIKey of N-[5-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]pentyl]-4-fluorobenzamide?
The InChIKey is KSTCSLKOVDQBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClF2N3O/c27-21-7-6-8-22(29)20(21)17-32-24-10-4-3-9-23(24)31-25(32)11-2-1-5-16-30-26(33)18-12-14-19(28)15-13-18/h3-4,6-10,12-15H,1-2,5,11,16-17H2,(H,30,33).
What are the key properties of N-[5-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]pentyl]-4-fluorobenzamide?
N-[5-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]pentyl]-4-fluorobenzamide has a molecular weight of 467.95 g/mol, XLogP of 6.16, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]pentyl]-4-fluorobenzamide is sourced from PubChem (CID 16991726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).