N-[3-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]propyl]thiophene-2-carboxamide

C23H23N3O2S — CID 16982069

IUPACN-[3-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]propyl]thiophene-2-carboxamide
SMILESCOc1ccc(Cn2c(CCCNC(=O)c3cccs3)nc3ccccc32)cc1
InChIInChI=1S/C23H23N3O2S/c1-28-18-12-10-17(11-13-18)16-26-20-7-3-2-6-19(20)25-22(26)9-4-14-24-23(27)21-8-5-15-29-21/h2-3,5-8,10-13,15H,4,9,14,16H2,1H3,(H,24,27)
InChIKeyYRIYPRDBQYUMDY-UHFFFAOYSA-N
MW405.52 g/mol
LogP4.52
Rot. Bonds8

About N-[3-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]propyl]thiophene-2-carboxamide

N-[3-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]propyl]thiophene-2-carboxamide (PubChem CID 16982069) has the molecular formula C23H23N3O2S and a molecular weight of 405.52 g/mol. Its IUPAC name is N-[3-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]propyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]propyl]thiophene-2-carboxamide
PubChem CID16982069
Molecular FormulaC23H23N3O2S
Molecular Weight405.52 g/mol
Exact Mass405.15
IUPAC NameN-[3-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]propyl]thiophene-2-carboxamide
SMILESCOc1ccc(Cn2c(CCCNC(=O)c3cccs3)nc3ccccc32)cc1
InChIInChI=1S/C23H23N3O2S/c1-28-18-12-10-17(11-13-18)16-26-20-7-3-2-6-19(20)25-22(26)9-4-14-24-23(27)21-8-5-15-29-21/h2-3,5-8,10-13,15H,4,9,14,16H2,1H3,(H,24,27)
InChIKeyYRIYPRDBQYUMDY-UHFFFAOYSA-N
XLogP4.52
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 54.52
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-[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]propyl]thiophene-2-carboxamide
CID 16982068
N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide
CID 16973758
N-[2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 16975593
N-[5-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide
CID 16994814
4-bromo-N-[3-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]propyl]benzamide
CID 16984748
N-[3-(1-dodecylbenzimidazol-2-yl)propyl]thiophene-2-carboxamide
CID 16982052
N-[3-[1-(2-phenoxyethyl)benzimidazol-2-yl]propyl]thiophene-2-carboxamide
CID 16982081
N-[5-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide
CID 16994844
N-[5-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide
CID 16994810
N-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propyl]-2-(4-methoxyphenyl)acetamide
CID 16985536
N-[5-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide
CID 16994651
N-[5-(1-heptylbenzimidazol-2-yl)pentyl]thiophene-2-carboxamide
CID 16994788

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]propyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]propyl]thiophene-2-carboxamide (CID 16982069) is N-[3-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]propyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]propyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]propyl]thiophene-2-carboxamide is COc1ccc(Cn2c(CCCNC(=O)c3cccs3)nc3ccccc32)cc1.
What is the InChIKey of N-[3-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]propyl]thiophene-2-carboxamide?
The InChIKey is YRIYPRDBQYUMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2S/c1-28-18-12-10-17(11-13-18)16-26-20-7-3-2-6-19(20)25-22(26)9-4-14-24-23(27)21-8-5-15-29-21/h2-3,5-8,10-13,15H,4,9,14,16H2,1H3,(H,24,27).
What are the key properties of N-[3-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]propyl]thiophene-2-carboxamide?
N-[3-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]propyl]thiophene-2-carboxamide has a molecular weight of 405.52 g/mol, XLogP of 4.52, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]propyl]thiophene-2-carboxamide is sourced from PubChem (CID 16982069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).