N-[1-[1-(4-phenoxybutyl)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide

C24H25N3O2S — CID 16973675

IUPACN-[1-[1-(4-phenoxybutyl)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cccs1)c1nc2ccccc2n1CCCCOc1ccccc1
InChIInChI=1S/C24H25N3O2S/c1-18(25-24(28)22-14-9-17-30-22)23-26-20-12-5-6-13-21(20)27(23)15-7-8-16-29-19-10-3-2-4-11-19/h2-6,9-14,17-18H,7-8,15-16H2,1H3,(H,25,28)
InChIKeyOOFXVRPWBGFPSG-UHFFFAOYSA-N
MW419.55 g/mol
LogP5.45
Rot. Bonds9

About N-[1-[1-(4-phenoxybutyl)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide

N-[1-[1-(4-phenoxybutyl)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide (PubChem CID 16973675) has the molecular formula C24H25N3O2S and a molecular weight of 419.55 g/mol. Its IUPAC name is N-[1-[1-(4-phenoxybutyl)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[1-(4-phenoxybutyl)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
PubChem CID16973675
Molecular FormulaC24H25N3O2S
Molecular Weight419.55 g/mol
Exact Mass419.17
IUPAC NameN-[1-[1-(4-phenoxybutyl)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cccs1)c1nc2ccccc2n1CCCCOc1ccccc1
InChIInChI=1S/C24H25N3O2S/c1-18(25-24(28)22-14-9-17-30-22)23-26-20-12-5-6-13-21(20)27(23)15-7-8-16-29-19-10-3-2-4-11-19/h2-6,9-14,17-18H,7-8,15-16H2,1H3,(H,25,28)
InChIKeyOOFXVRPWBGFPSG-UHFFFAOYSA-N
XLogP5.45
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.55
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 16973684
N-[1-(1-butylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide
CID 3243597
N-[1-[1-(4-phenoxybutyl)benzimidazol-2-yl]ethyl]pyridine-4-carboxamide
CID 16965467
N-[(1S)-1-(1-ethylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide
CID 7025686
N-[[1-(4-phenoxybutyl)benzimidazol-2-yl]methyl]thiophene-2-carboxamide
CID 16973825
N-[1-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 16973627
4-methyl-N-[1-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]benzamide
CID 16967236
3-methyl-N-[1-[1-(4-phenoxybutyl)benzimidazol-2-yl]ethyl]benzamide
CID 16967105
N-[(1S)-1-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 42100825
N-[(1R)-1-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 42100824
2-(4-chlorophenyl)-N-[1-[1-(4-phenoxybutyl)benzimidazol-2-yl]ethyl]acetamide
CID 16973092
N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
CID 16971833

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(4-phenoxybutyl)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[1-[1-(4-phenoxybutyl)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide (CID 16973675) is N-[1-[1-(4-phenoxybutyl)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[1-(4-phenoxybutyl)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-[1-(4-phenoxybutyl)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide is CC(NC(=O)c1cccs1)c1nc2ccccc2n1CCCCOc1ccccc1.
What is the InChIKey of N-[1-[1-(4-phenoxybutyl)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide?
The InChIKey is OOFXVRPWBGFPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2S/c1-18(25-24(28)22-14-9-17-30-22)23-26-20-12-5-6-13-21(20)27(23)15-7-8-16-29-19-10-3-2-4-11-19/h2-6,9-14,17-18H,7-8,15-16H2,1H3,(H,25,28).
What are the key properties of N-[1-[1-(4-phenoxybutyl)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide?
N-[1-[1-(4-phenoxybutyl)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide has a molecular weight of 419.55 g/mol, XLogP of 5.45, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(4-phenoxybutyl)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 16973675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).