N-[5-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]pentyl]-4-chlorobenzamide

C26H25BrClN3O — CID 16991408

IUPACN-[5-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]pentyl]-4-chlorobenzamide
SMILESO=C(NCCCCCc1nc2ccccc2n1Cc1cccc(Br)c1)c1ccc(Cl)cc1
InChIInChI=1S/C26H25BrClN3O/c27-21-8-6-7-19(17-21)18-31-24-10-4-3-9-23(24)30-25(31)11-2-1-5-16-29-26(32)20-12-14-22(28)15-13-20/h3-4,6-10,12-15,17H,1-2,5,11,16,18H2,(H,29,32)
InChIKeyULMGXRDRNWNQBF-UHFFFAOYSA-N
MW510.86 g/mol
LogP6.64
Rot. Bonds9

About N-[5-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]pentyl]-4-chlorobenzamide

N-[5-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]pentyl]-4-chlorobenzamide (PubChem CID 16991408) has the molecular formula C26H25BrClN3O and a molecular weight of 510.86 g/mol. Its IUPAC name is N-[5-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]pentyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[5-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]pentyl]-4-chlorobenzamide
PubChem CID16991408
Molecular FormulaC26H25BrClN3O
Molecular Weight510.86 g/mol
Exact Mass509.09
IUPAC NameN-[5-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]pentyl]-4-chlorobenzamide
SMILESO=C(NCCCCCc1nc2ccccc2n1Cc1cccc(Br)c1)c1ccc(Cl)cc1
InChIInChI=1S/C26H25BrClN3O/c27-21-8-6-7-19(17-21)18-31-24-10-4-3-9-23(24)30-25(31)11-2-1-5-16-29-26(32)20-12-14-22(28)15-13-20/h3-4,6-10,12-15,17H,1-2,5,11,16,18H2,(H,29,32)
InChIKeyULMGXRDRNWNQBF-UHFFFAOYSA-N
XLogP6.64
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.86
LogP ≤ 56.64
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

3-bromo-N-[3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propyl]benzamide
CID 16983329
N-[5-(1-benzylbenzimidazol-2-yl)pentyl]-4-bromobenzamide
CID 16991556
N-[5-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]pentyl]-3-methylbenzamide
CID 16990274
4-bromo-N-[5-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pentyl]benzamide
CID 16991579
N-[5-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide
CID 16994810
N-[5-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]pentyl]-4-methylbenzamide
CID 16991895
4-bromo-N-[5-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991580
N-[5-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]pentyl]-3,4-dimethoxybenzamide
CID 16990920
3-bromo-N-[5-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990630
4-chloro-N-[5-[1-(2-methylpropyl)benzimidazol-2-yl]pentyl]benzamide
CID 16991376
3-bromo-N-[5-(1-ethylbenzimidazol-2-yl)pentyl]benzamide
CID 16990563
3-chloro-N-[5-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990438

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]pentyl]-4-chlorobenzamide?
The IUPAC name of N-[5-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]pentyl]-4-chlorobenzamide (CID 16991408) is N-[5-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]pentyl]-4-chlorobenzamide.
What is the SMILES notation for N-[5-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]pentyl]-4-chlorobenzamide?
The canonical SMILES for N-[5-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]pentyl]-4-chlorobenzamide is O=C(NCCCCCc1nc2ccccc2n1Cc1cccc(Br)c1)c1ccc(Cl)cc1.
What is the InChIKey of N-[5-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]pentyl]-4-chlorobenzamide?
The InChIKey is ULMGXRDRNWNQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25BrClN3O/c27-21-8-6-7-19(17-21)18-31-24-10-4-3-9-23(24)30-25(31)11-2-1-5-16-29-26(32)20-12-14-22(28)15-13-20/h3-4,6-10,12-15,17H,1-2,5,11,16,18H2,(H,29,32).
What are the key properties of N-[5-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]pentyl]-4-chlorobenzamide?
N-[5-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]pentyl]-4-chlorobenzamide has a molecular weight of 510.86 g/mol, XLogP of 6.64, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]pentyl]-4-chlorobenzamide is sourced from PubChem (CID 16991408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).