N-[5-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]pentyl]furan-2-carboxamide

C23H28N4O3 — CID 16994757

IUPACN-[5-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]pentyl]furan-2-carboxamide
SMILESO=C(NCCCCCc1nc2ccccc2n1CC(=O)N1CCCC1)c1ccco1
InChIInChI=1S/C23H28N4O3/c28-22(26-14-6-7-15-26)17-27-19-10-4-3-9-18(19)25-21(27)12-2-1-5-13-24-23(29)20-11-8-16-30-20/h3-4,8-11,16H,1-2,5-7,12-15,17H2,(H,24,29)
InChIKeyKKISNUDUFMIJBN-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.39
Rot. Bonds9

About N-[5-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]pentyl]furan-2-carboxamide

N-[5-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]pentyl]furan-2-carboxamide (PubChem CID 16994757) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is N-[5-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]pentyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]pentyl]furan-2-carboxamide
PubChem CID16994757
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC NameN-[5-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]pentyl]furan-2-carboxamide
SMILESO=C(NCCCCCc1nc2ccccc2n1CC(=O)N1CCCC1)c1ccco1
InChIInChI=1S/C23H28N4O3/c28-22(26-14-6-7-15-26)17-27-19-10-4-3-9-18(19)25-21(27)12-2-1-5-13-24-23(29)20-11-8-16-30-20/h3-4,8-11,16H,1-2,5-7,12-15,17H2,(H,24,29)
InChIKeyKKISNUDUFMIJBN-UHFFFAOYSA-N
XLogP3.39
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.39
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-[[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]methyl]furan-2-carboxamide
CID 16973964
N-[5-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]pentyl]furan-2-carboxamide
CID 16994618
N-[3-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]propyl]furan-2-carboxamide
CID 16982026
methyl 2-[2-[3-(furan-2-carbonylamino)propyl]benzimidazol-1-yl]acetate
CID 16982030
N-[5-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide
CID 16994918
N-[5-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide
CID 16994750
N-[3-[1-[2-(cyclopentylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]furan-2-carboxamide
CID 17031242
2-(2-chlorophenyl)-N-[5-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]pentyl]acetamide
CID 16993786
N-[3-(1-nonylbenzimidazol-2-yl)propyl]furan-2-carboxamide
CID 16981934
N-[5-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide
CID 16994651
N-[5-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]-2,4-dimethylbenzamide
CID 16989734

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]pentyl]furan-2-carboxamide?
The IUPAC name of N-[5-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]pentyl]furan-2-carboxamide (CID 16994757) is N-[5-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]pentyl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]pentyl]furan-2-carboxamide?
The canonical SMILES for N-[5-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]pentyl]furan-2-carboxamide is O=C(NCCCCCc1nc2ccccc2n1CC(=O)N1CCCC1)c1ccco1.
What is the InChIKey of N-[5-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]pentyl]furan-2-carboxamide?
The InChIKey is KKISNUDUFMIJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c28-22(26-14-6-7-15-26)17-27-19-10-4-3-9-18(19)25-21(27)12-2-1-5-13-24-23(29)20-11-8-16-30-20/h3-4,8-11,16H,1-2,5-7,12-15,17H2,(H,24,29).
What are the key properties of N-[5-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]pentyl]furan-2-carboxamide?
N-[5-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]pentyl]furan-2-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 3.39, 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-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]pentyl]furan-2-carboxamide is sourced from PubChem (CID 16994757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).