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

C23H23N3O2S — CID 16973825

IUPACN-[[1-(4-phenoxybutyl)benzimidazol-2-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NCc1nc2ccccc2n1CCCCOc1ccccc1)c1cccs1
InChIInChI=1S/C23H23N3O2S/c27-23(21-13-8-16-29-21)24-17-22-25-19-11-4-5-12-20(19)26(22)14-6-7-15-28-18-9-2-1-3-10-18/h1-5,8-13,16H,6-7,14-15,17H2,(H,24,27)
InChIKeyYSBHMQXSDZHBEB-UHFFFAOYSA-N
MW405.52 g/mol
LogP4.89
Rot. Bonds9

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

N-[[1-(4-phenoxybutyl)benzimidazol-2-yl]methyl]thiophene-2-carboxamide (PubChem CID 16973825) has the molecular formula C23H23N3O2S and a molecular weight of 405.52 g/mol. Its IUPAC name is N-[[1-(4-phenoxybutyl)benzimidazol-2-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(4-phenoxybutyl)benzimidazol-2-yl]methyl]thiophene-2-carboxamide
PubChem CID16973825
Molecular FormulaC23H23N3O2S
Molecular Weight405.52 g/mol
Exact Mass405.15
IUPAC NameN-[[1-(4-phenoxybutyl)benzimidazol-2-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NCc1nc2ccccc2n1CCCCOc1ccccc1)c1cccs1
InChIInChI=1S/C23H23N3O2S/c27-23(21-13-8-16-29-21)24-17-22-25-19-11-4-5-12-20(19)26(22)14-6-7-15-28-18-9-2-1-3-10-18/h1-5,8-13,16H,6-7,14-15,17H2,(H,24,27)
InChIKeyYSBHMQXSDZHBEB-UHFFFAOYSA-N
XLogP4.89
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 54.89
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-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide
CID 16973845
N-[[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide
CID 16973840
N-[[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide
CID 16973793
N-[[1-[3-(3,4-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide
CID 16973816
N-[3-[1-(2-phenoxyethyl)benzimidazol-2-yl]propyl]thiophene-2-carboxamide
CID 16982081
N-[2-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 16975607
N-[1-[1-(4-phenoxybutyl)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 16973675
N-[2-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 16975651
N-[2-[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 16975675
N-[3-[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]propyl]thiophene-2-carboxamide
CID 16982149
N-[(1-phenacylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide
CID 16973875
N-[2-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 16975660

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-phenoxybutyl)benzimidazol-2-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[1-(4-phenoxybutyl)benzimidazol-2-yl]methyl]thiophene-2-carboxamide (CID 16973825) is N-[[1-(4-phenoxybutyl)benzimidazol-2-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[1-(4-phenoxybutyl)benzimidazol-2-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[1-(4-phenoxybutyl)benzimidazol-2-yl]methyl]thiophene-2-carboxamide is O=C(NCc1nc2ccccc2n1CCCCOc1ccccc1)c1cccs1.
What is the InChIKey of N-[[1-(4-phenoxybutyl)benzimidazol-2-yl]methyl]thiophene-2-carboxamide?
The InChIKey is YSBHMQXSDZHBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2S/c27-23(21-13-8-16-29-21)24-17-22-25-19-11-4-5-12-20(19)26(22)14-6-7-15-28-18-9-2-1-3-10-18/h1-5,8-13,16H,6-7,14-15,17H2,(H,24,27).
What are the key properties of N-[[1-(4-phenoxybutyl)benzimidazol-2-yl]methyl]thiophene-2-carboxamide?
N-[[1-(4-phenoxybutyl)benzimidazol-2-yl]methyl]thiophene-2-carboxamide has a molecular weight of 405.52 g/mol, XLogP of 4.89, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-phenoxybutyl)benzimidazol-2-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 16973825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).