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

C25H34N4O2S — CID 16994908

IUPACN-[5-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide
SMILESCCCN(CCC)C(=O)Cn1c(CCCCCNC(=O)c2cccs2)nc2ccccc21
InChIInChI=1S/C25H34N4O2S/c1-3-16-28(17-4-2)24(30)19-29-21-12-8-7-11-20(21)27-23(29)14-6-5-9-15-26-25(31)22-13-10-18-32-22/h7-8,10-13,18H,3-6,9,14-17,19H2,1-2H3,(H,26,31)
InChIKeyWRXQXCSIZMYJKH-UHFFFAOYSA-N
MW454.64 g/mol
LogP4.89
Rot. Bonds13

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

N-[5-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide (PubChem CID 16994908) has the molecular formula C25H34N4O2S and a molecular weight of 454.64 g/mol. Its IUPAC name is N-[5-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide
PubChem CID16994908
Molecular FormulaC25H34N4O2S
Molecular Weight454.64 g/mol
Exact Mass454.24
IUPAC NameN-[5-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide
SMILESCCCN(CCC)C(=O)Cn1c(CCCCCNC(=O)c2cccs2)nc2ccccc21
InChIInChI=1S/C25H34N4O2S/c1-3-16-28(17-4-2)24(30)19-29-21-12-8-7-11-20(21)27-23(29)14-6-5-9-15-26-25(31)22-13-10-18-32-22/h7-8,10-13,18H,3-6,9,14-17,19H2,1-2H3,(H,26,31)
InChIKeyWRXQXCSIZMYJKH-UHFFFAOYSA-N
XLogP4.89
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.64
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-[5-(1-heptylbenzimidazol-2-yl)pentyl]thiophene-2-carboxamide
CID 16994788
2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N,N-dipropylacetamide
CID 16987942
N-[5-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide
CID 16994913
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-[5-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]pentyl]-2,4-dimethylbenzamide
CID 16989724
2-(2-chlorophenyl)-N-[5-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]pentyl]acetamide
CID 16993774
N-[3-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-ethylbutanamide
CID 16981080
N-[5-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide
CID 16994918
N-[3-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-phenylacetamide
CID 16984990
N-[2-(1-propylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide
CID 751300
N-[5-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide
CID 16994814

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide?
The IUPAC name of N-[5-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide (CID 16994908) is N-[5-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide?
The canonical SMILES for N-[5-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide is CCCN(CCC)C(=O)Cn1c(CCCCCNC(=O)c2cccs2)nc2ccccc21.
What is the InChIKey of N-[5-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide?
The InChIKey is WRXQXCSIZMYJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O2S/c1-3-16-28(17-4-2)24(30)19-29-21-12-8-7-11-20(21)27-23(29)14-6-5-9-15-26-25(31)22-13-10-18-32-22/h7-8,10-13,18H,3-6,9,14-17,19H2,1-2H3,(H,26,31).
What are the key properties of N-[5-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide?
N-[5-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide has a molecular weight of 454.64 g/mol, XLogP of 4.89, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide is sourced from PubChem (CID 16994908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).