N-[5-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide

C27H30N4O3 — CID 16994750

IUPACN-[5-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide
SMILESCCN(C(=O)Cn1c(CCCCCNC(=O)c2ccco2)nc2ccccc21)c1ccccc1
InChIInChI=1S/C27H30N4O3/c1-2-30(21-12-5-3-6-13-21)26(32)20-31-23-15-9-8-14-22(23)29-25(31)17-7-4-10-18-28-27(33)24-16-11-19-34-24/h3,5-6,8-9,11-16,19H,2,4,7,10,17-18,20H2,1H3,(H,28,33)
InChIKeyDOBPSRTWANEWFG-UHFFFAOYSA-N
MW458.56 g/mol
LogP4.83
Rot. Bonds11

About N-[5-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide

N-[5-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide (PubChem CID 16994750) has the molecular formula C27H30N4O3 and a molecular weight of 458.56 g/mol. Its IUPAC name is N-[5-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide
PubChem CID16994750
Molecular FormulaC27H30N4O3
Molecular Weight458.56 g/mol
Exact Mass458.23
IUPAC NameN-[5-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide
SMILESCCN(C(=O)Cn1c(CCCCCNC(=O)c2ccco2)nc2ccccc21)c1ccccc1
InChIInChI=1S/C27H30N4O3/c1-2-30(21-12-5-3-6-13-21)26(32)20-31-23-15-9-8-14-22(23)29-25(31)17-7-4-10-18-28-27(33)24-16-11-19-34-24/h3,5-6,8-9,11-16,19H,2,4,7,10,17-18,20H2,1H3,(H,28,33)
InChIKeyDOBPSRTWANEWFG-UHFFFAOYSA-N
XLogP4.83
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 54.83
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

2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N-ethyl-N-phenylacetamide
CID 16987946
2-chloro-N-[5-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989890
N-[5-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]pentyl]furan-2-carboxamide
CID 16994618
N-[3-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]furan-2-carboxamide
CID 16982012
N-[5-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]pentyl]furan-2-carboxamide
CID 16994757
N-[3-(1-nonylbenzimidazol-2-yl)propyl]furan-2-carboxamide
CID 16981934
methyl 2-[2-[3-(furan-2-carbonylamino)propyl]benzimidazol-1-yl]acetate
CID 16982030
N-[5-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]pentyl]furan-2-carboxamide
CID 16994758
N-[5-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide
CID 16994651
N-[3-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]butanamide
CID 16981231
N-[2-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16975540
N-[3-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methoxybenzamide
CID 16984221

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide?
The IUPAC name of N-[5-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide (CID 16994750) is N-[5-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide?
The canonical SMILES for N-[5-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide is CCN(C(=O)Cn1c(CCCCCNC(=O)c2ccco2)nc2ccccc21)c1ccccc1.
What is the InChIKey of N-[5-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide?
The InChIKey is DOBPSRTWANEWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O3/c1-2-30(21-12-5-3-6-13-21)26(32)20-31-23-15-9-8-14-22(23)29-25(31)17-7-4-10-18-28-27(33)24-16-11-19-34-24/h3,5-6,8-9,11-16,19H,2,4,7,10,17-18,20H2,1H3,(H,28,33).
What are the key properties of N-[5-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide?
N-[5-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide has a molecular weight of 458.56 g/mol, XLogP of 4.83, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide is sourced from PubChem (CID 16994750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).