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

C26H25ClFN3O — CID 16990438

IUPAC3-chloro-N-[5-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]pentyl]benzamide
SMILESO=C(NCCCCCc1nc2ccccc2n1Cc1ccc(F)cc1)c1cccc(Cl)c1
InChIInChI=1S/C26H25ClFN3O/c27-21-8-6-7-20(17-21)26(32)29-16-5-1-2-11-25-30-23-9-3-4-10-24(23)31(25)18-19-12-14-22(28)15-13-19/h3-4,6-10,12-15,17H,1-2,5,11,16,18H2,(H,29,32)
InChIKeyKIJTYLLAASXVID-UHFFFAOYSA-N
MW449.96 g/mol
LogP6.02
Rot. Bonds9

About 3-chloro-N-[5-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]pentyl]benzamide

3-chloro-N-[5-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]pentyl]benzamide (PubChem CID 16990438) has the molecular formula C26H25ClFN3O and a molecular weight of 449.96 g/mol. Its IUPAC name is 3-chloro-N-[5-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]pentyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[5-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]pentyl]benzamide
PubChem CID16990438
Molecular FormulaC26H25ClFN3O
Molecular Weight449.96 g/mol
Exact Mass449.17
IUPAC Name3-chloro-N-[5-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]pentyl]benzamide
SMILESO=C(NCCCCCc1nc2ccccc2n1Cc1ccc(F)cc1)c1cccc(Cl)c1
InChIInChI=1S/C26H25ClFN3O/c27-21-8-6-7-20(17-21)26(32)29-16-5-1-2-11-25-30-23-9-3-4-10-24(23)31(25)18-19-12-14-22(28)15-13-19/h3-4,6-10,12-15,17H,1-2,5,11,16,18H2,(H,29,32)
InChIKeyKIJTYLLAASXVID-UHFFFAOYSA-N
XLogP6.02
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.96
LogP ≤ 56.02
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

4-fluoro-N-[5-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991738
N-[5-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]pentyl]-3,4,5-trimethoxybenzamide
CID 16991086
N-[5-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]pentyl]-3-chlorobenzamide
CID 16990406
N-[2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 16977611
N-[5-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]pentyl]-4-fluorobenzamide
CID 16991726
3-bromo-N-[3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propyl]benzamide
CID 16983329
3-methyl-N-[5-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990280
3-chloro-N-[5-[1-(3-methylbutyl)benzimidazol-2-yl]pentyl]benzamide
CID 16990411
3-chloro-N-[3-(1-octylbenzimidazol-2-yl)propyl]benzamide
CID 16983472
3-chloro-N-[5-[1-(2-methylbutyl)benzimidazol-2-yl]pentyl]benzamide
CID 16990410
N-[5-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]pentyl]-3,4-dimethoxybenzamide
CID 16990920
N-[5-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]pentyl]-4-chlorobenzamide
CID 16991408

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[5-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]pentyl]benzamide?
The IUPAC name of 3-chloro-N-[5-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]pentyl]benzamide (CID 16990438) is 3-chloro-N-[5-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]pentyl]benzamide.
What is the SMILES notation for 3-chloro-N-[5-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]pentyl]benzamide?
The canonical SMILES for 3-chloro-N-[5-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]pentyl]benzamide is O=C(NCCCCCc1nc2ccccc2n1Cc1ccc(F)cc1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[5-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]pentyl]benzamide?
The InChIKey is KIJTYLLAASXVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClFN3O/c27-21-8-6-7-20(17-21)26(32)29-16-5-1-2-11-25-30-23-9-3-4-10-24(23)31(25)18-19-12-14-22(28)15-13-19/h3-4,6-10,12-15,17H,1-2,5,11,16,18H2,(H,29,32).
What are the key properties of 3-chloro-N-[5-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]pentyl]benzamide?
3-chloro-N-[5-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]pentyl]benzamide has a molecular weight of 449.96 g/mol, XLogP of 6.02, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[5-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]pentyl]benzamide is sourced from PubChem (CID 16990438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).