N-[3-[1-(1-phenylethyl)benzimidazol-2-yl]propyl]thiophene-2-carboxamide

C23H23N3OS — CID 16982056

IUPACN-[3-[1-(1-phenylethyl)benzimidazol-2-yl]propyl]thiophene-2-carboxamide
SMILESCC(c1ccccc1)n1c(CCCNC(=O)c2cccs2)nc2ccccc21
InChIInChI=1S/C23H23N3OS/c1-17(18-9-3-2-4-10-18)26-20-12-6-5-11-19(20)25-22(26)14-7-15-24-23(27)21-13-8-16-28-21/h2-6,8-13,16-17H,7,14-15H2,1H3,(H,24,27)
InChIKeyWYTWJBVTZLDBLA-UHFFFAOYSA-N
MW389.52 g/mol
LogP5.07
Rot. Bonds7

About N-[3-[1-(1-phenylethyl)benzimidazol-2-yl]propyl]thiophene-2-carboxamide

N-[3-[1-(1-phenylethyl)benzimidazol-2-yl]propyl]thiophene-2-carboxamide (PubChem CID 16982056) has the molecular formula C23H23N3OS and a molecular weight of 389.52 g/mol. Its IUPAC name is N-[3-[1-(1-phenylethyl)benzimidazol-2-yl]propyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[1-(1-phenylethyl)benzimidazol-2-yl]propyl]thiophene-2-carboxamide
PubChem CID16982056
Molecular FormulaC23H23N3OS
Molecular Weight389.52 g/mol
Exact Mass389.16
IUPAC NameN-[3-[1-(1-phenylethyl)benzimidazol-2-yl]propyl]thiophene-2-carboxamide
SMILESCC(c1ccccc1)n1c(CCCNC(=O)c2cccs2)nc2ccccc21
InChIInChI=1S/C23H23N3OS/c1-17(18-9-3-2-4-10-18)26-20-12-6-5-11-19(20)25-22(26)14-7-15-24-23(27)21-13-8-16-28-21/h2-6,8-13,16-17H,7,14-15H2,1H3,(H,24,27)
InChIKeyWYTWJBVTZLDBLA-UHFFFAOYSA-N
XLogP5.07
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.52
LogP ≤ 55.07
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-[2-[1-(1-phenylethyl)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 16975581
4-chloro-N-[3-[1-(1-phenylethyl)benzimidazol-2-yl]propyl]benzamide
CID 16984574
2-methyl-N-[3-[1-(1-phenylethyl)benzimidazol-2-yl]propyl]prop-2-enamide
CID 16986880
N-[3-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]thiophene-2-carboxamide
CID 16982163
N-[3-(1-dodecylbenzimidazol-2-yl)propyl]thiophene-2-carboxamide
CID 16982052
N-[3-[1-[(1R)-1-phenylethyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide
CID 40639636
N-[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]propyl]thiophene-2-carboxamide
CID 16982068
N-[5-[1-(1-phenylethyl)benzimidazol-2-yl]pentyl]cyclopropanecarboxamide
CID 16989127
N-[3-[1-(2-phenoxyethyl)benzimidazol-2-yl]propyl]thiophene-2-carboxamide
CID 16982081
N-[5-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide
CID 16994913
N-[5-(1-heptylbenzimidazol-2-yl)pentyl]thiophene-2-carboxamide
CID 16994788
2-(4-chlorophenoxy)-N-[3-[1-(1-phenylethyl)benzimidazol-2-yl]propyl]acetamide
CID 16986394

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(1-phenylethyl)benzimidazol-2-yl]propyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[1-(1-phenylethyl)benzimidazol-2-yl]propyl]thiophene-2-carboxamide (CID 16982056) is N-[3-[1-(1-phenylethyl)benzimidazol-2-yl]propyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[1-(1-phenylethyl)benzimidazol-2-yl]propyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[1-(1-phenylethyl)benzimidazol-2-yl]propyl]thiophene-2-carboxamide is CC(c1ccccc1)n1c(CCCNC(=O)c2cccs2)nc2ccccc21.
What is the InChIKey of N-[3-[1-(1-phenylethyl)benzimidazol-2-yl]propyl]thiophene-2-carboxamide?
The InChIKey is WYTWJBVTZLDBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3OS/c1-17(18-9-3-2-4-10-18)26-20-12-6-5-11-19(20)25-22(26)14-7-15-24-23(27)21-13-8-16-28-21/h2-6,8-13,16-17H,7,14-15H2,1H3,(H,24,27).
What are the key properties of N-[3-[1-(1-phenylethyl)benzimidazol-2-yl]propyl]thiophene-2-carboxamide?
N-[3-[1-(1-phenylethyl)benzimidazol-2-yl]propyl]thiophene-2-carboxamide has a molecular weight of 389.52 g/mol, XLogP of 5.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(1-phenylethyl)benzimidazol-2-yl]propyl]thiophene-2-carboxamide is sourced from PubChem (CID 16982056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).