N-[5-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide

C25H32N4O2S — CID 16994918

IUPACN-[5-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide
SMILESO=C(NCCCCCc1nc2ccccc2n1CC(=O)N1CCCCCC1)c1cccs1
InChIInChI=1S/C25H32N4O2S/c30-24(28-16-8-1-2-9-17-28)19-29-21-12-6-5-11-20(21)27-23(29)14-4-3-7-15-26-25(31)22-13-10-18-32-22/h5-6,10-13,18H,1-4,7-9,14-17,19H2,(H,26,31)
InChIKeyQMSIKWLCFHZJCV-UHFFFAOYSA-N
MW452.62 g/mol
LogP4.64
Rot. Bonds9

About N-[5-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide

N-[5-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide (PubChem CID 16994918) has the molecular formula C25H32N4O2S and a molecular weight of 452.62 g/mol. Its IUPAC name is N-[5-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide
PubChem CID16994918
Molecular FormulaC25H32N4O2S
Molecular Weight452.62 g/mol
Exact Mass452.22
IUPAC NameN-[5-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide
SMILESO=C(NCCCCCc1nc2ccccc2n1CC(=O)N1CCCCCC1)c1cccs1
InChIInChI=1S/C25H32N4O2S/c30-24(28-16-8-1-2-9-17-28)19-29-21-12-6-5-11-20(21)27-23(29)14-4-3-7-15-26-25(31)22-13-10-18-32-22/h5-6,10-13,18H,1-4,7-9,14-17,19H2,(H,26,31)
InChIKeyQMSIKWLCFHZJCV-UHFFFAOYSA-N
XLogP4.64
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.62
LogP ≤ 54.64
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-[5-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]pentyl]furan-2-carboxamide
CID 16994758
N-[5-(1-heptylbenzimidazol-2-yl)pentyl]thiophene-2-carboxamide
CID 16994788
2-(2-chlorophenyl)-N-[5-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]pentyl]acetamide
CID 16993786
N-[5-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]pentyl]furan-2-carboxamide
CID 16994757
N-[5-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide
CID 16994908
N-[5-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]-2,4-dimethylbenzamide
CID 16989734
N-[5-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide
CID 16994913
(E)-N-[5-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]-3-phenylprop-2-enamide
CID 16992812
N-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]pyridine-2-carboxamide
CID 16966317
3,4,5-trimethoxy-N-[5-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]pentyl]benzamide
CID 16991194
N-[3-(1-dodecylbenzimidazol-2-yl)propyl]thiophene-2-carboxamide
CID 16982052
N-[3-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]propyl]-3-chlorobenzamide
CID 16983601

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide?
The IUPAC name of N-[5-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide (CID 16994918) is N-[5-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide?
The canonical SMILES for N-[5-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide is O=C(NCCCCCc1nc2ccccc2n1CC(=O)N1CCCCCC1)c1cccs1.
What is the InChIKey of N-[5-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide?
The InChIKey is QMSIKWLCFHZJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2S/c30-24(28-16-8-1-2-9-17-28)19-29-21-12-6-5-11-20(21)27-23(29)14-4-3-7-15-26-25(31)22-13-10-18-32-22/h5-6,10-13,18H,1-4,7-9,14-17,19H2,(H,26,31).
What are the key properties of N-[5-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide?
N-[5-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide has a molecular weight of 452.62 g/mol, XLogP of 4.64, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide is sourced from PubChem (CID 16994918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).