N-[3-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]-2-fluorobenzamide

C24H20Cl2FN3O — CID 16983008

IUPACN-[3-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]-2-fluorobenzamide
SMILESO=C(NCCCc1nc2ccccc2n1Cc1c(Cl)cccc1Cl)c1ccccc1F
InChIInChI=1S/C24H20Cl2FN3O/c25-18-8-5-9-19(26)17(18)15-30-22-12-4-3-11-21(22)29-23(30)13-6-14-28-24(31)16-7-1-2-10-20(16)27/h1-5,7-12H,6,13-15H2,(H,28,31)
InChIKeyVNTDAOYEBSJQJV-UHFFFAOYSA-N
MW456.35 g/mol
LogP5.89
Rot. Bonds7

About N-[3-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]-2-fluorobenzamide

N-[3-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]-2-fluorobenzamide (PubChem CID 16983008) has the molecular formula C24H20Cl2FN3O and a molecular weight of 456.35 g/mol. Its IUPAC name is N-[3-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[3-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]-2-fluorobenzamide
PubChem CID16983008
Molecular FormulaC24H20Cl2FN3O
Molecular Weight456.35 g/mol
Exact Mass455.10
IUPAC NameN-[3-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]-2-fluorobenzamide
SMILESO=C(NCCCc1nc2ccccc2n1Cc1c(Cl)cccc1Cl)c1ccccc1F
InChIInChI=1S/C24H20Cl2FN3O/c25-18-8-5-9-19(26)17(18)15-30-22-12-4-3-11-21(22)29-23(30)13-6-14-28-24(31)16-7-1-2-10-20(16)27/h1-5,7-12H,6,13-15H2,(H,28,31)
InChIKeyVNTDAOYEBSJQJV-UHFFFAOYSA-N
XLogP5.89
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.35
LogP ≤ 55.89
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

2-chloro-N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976055
N-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-2-fluorobenzamide
CID 17007754
2-chloro-N-[3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propyl]benzamide
CID 16982697
N-[3-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]-2,4-dimethylbenzamide
CID 16982530
2-fluoro-N-[3-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide
CID 16983003
N-[3-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]-2-methylpropanamide
CID 16980824
2-chloro-N-[2-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976056
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]-4-fluorobenzamide
CID 16991726
N-[3-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]propyl]-3-phenylpropanamide
CID 16986020
N-[3-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide
CID 16981634
N-[5-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]pentyl]-2-methylpropanamide
CID 16988648

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]-2-fluorobenzamide?
The IUPAC name of N-[3-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]-2-fluorobenzamide (CID 16983008) is N-[3-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]-2-fluorobenzamide.
What is the SMILES notation for N-[3-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]-2-fluorobenzamide?
The canonical SMILES for N-[3-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]-2-fluorobenzamide is O=C(NCCCc1nc2ccccc2n1Cc1c(Cl)cccc1Cl)c1ccccc1F.
What is the InChIKey of N-[3-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]-2-fluorobenzamide?
The InChIKey is VNTDAOYEBSJQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2FN3O/c25-18-8-5-9-19(26)17(18)15-30-22-12-4-3-11-21(22)29-23(30)13-6-14-28-24(31)16-7-1-2-10-20(16)27/h1-5,7-12H,6,13-15H2,(H,28,31).
What are the key properties of N-[3-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]-2-fluorobenzamide?
N-[3-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]-2-fluorobenzamide has a molecular weight of 456.35 g/mol, XLogP of 5.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]-2-fluorobenzamide is sourced from PubChem (CID 16983008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).