N-[5-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide

C24H24BrN3OS — CID 16994810

IUPACN-[5-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide
SMILESO=C(NCCCCCc1nc2ccccc2n1Cc1cccc(Br)c1)c1cccs1
InChIInChI=1S/C24H24BrN3OS/c25-19-9-6-8-18(16-19)17-28-21-11-4-3-10-20(21)27-23(28)13-2-1-5-14-26-24(29)22-12-7-15-30-22/h3-4,6-12,15-16H,1-2,5,13-14,17H2,(H,26,29)
InChIKeyLATCELBDTTZQEZ-UHFFFAOYSA-N
MW482.45 g/mol
LogP6.05
Rot. Bonds9

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

N-[5-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide (PubChem CID 16994810) has the molecular formula C24H24BrN3OS and a molecular weight of 482.45 g/mol. Its IUPAC name is N-[5-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide
PubChem CID16994810
Molecular FormulaC24H24BrN3OS
Molecular Weight482.45 g/mol
Exact Mass481.08
IUPAC NameN-[5-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide
SMILESO=C(NCCCCCc1nc2ccccc2n1Cc1cccc(Br)c1)c1cccs1
InChIInChI=1S/C24H24BrN3OS/c25-19-9-6-8-18(16-19)17-28-21-11-4-3-10-20(21)27-23(28)13-2-1-5-14-26-24(29)22-12-7-15-30-22/h3-4,6-12,15-16H,1-2,5,13-14,17H2,(H,26,29)
InChIKeyLATCELBDTTZQEZ-UHFFFAOYSA-N
XLogP6.05
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.45
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]pentyl]-4-chlorobenzamide
CID 16991408
N-[5-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]pentyl]-3-methylbenzamide
CID 16990274
N-[2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 16975593
N-[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]propyl]thiophene-2-carboxamide
CID 16982068
N-[5-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide
CID 16994814
N-[5-(1-heptylbenzimidazol-2-yl)pentyl]thiophene-2-carboxamide
CID 16994788
N-[3-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]propyl]thiophene-2-carboxamide
CID 16982069
N-[5-(1-benzylbenzimidazol-2-yl)pentyl]-4-bromobenzamide
CID 16991556
N-[3-(1-dodecylbenzimidazol-2-yl)propyl]thiophene-2-carboxamide
CID 16982052
N-[5-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide
CID 16994918
N-[5-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]pentyl]thiophene-2-carboxamide
CID 16994877
N-[2-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 16975605

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide?
The IUPAC name of N-[5-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide (CID 16994810) is N-[5-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide?
The canonical SMILES for N-[5-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide is O=C(NCCCCCc1nc2ccccc2n1Cc1cccc(Br)c1)c1cccs1.
What is the InChIKey of N-[5-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide?
The InChIKey is LATCELBDTTZQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrN3OS/c25-19-9-6-8-18(16-19)17-28-21-11-4-3-10-20(21)27-23(28)13-2-1-5-14-26-24(29)22-12-7-15-30-22/h3-4,6-12,15-16H,1-2,5,13-14,17H2,(H,26,29).
What are the key properties of N-[5-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide?
N-[5-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide has a molecular weight of 482.45 g/mol, XLogP of 6.05, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide is sourced from PubChem (CID 16994810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).