N-[3-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]butanamide

C24H30N4O2 — CID 16981231

IUPACN-[3-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]butanamide
SMILESCCCC(=O)NCCCc1nc2ccccc2n1CC(=O)N(CC)c1ccccc1
InChIInChI=1S/C24H30N4O2/c1-3-11-23(29)25-17-10-16-22-26-20-14-8-9-15-21(20)28(22)18-24(30)27(4-2)19-12-6-5-7-13-19/h5-9,12-15H,3-4,10-11,16-18H2,1-2H3,(H,25,29)
InChIKeyXCSOTRFRHNALQD-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.94
Rot. Bonds10

About N-[3-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]butanamide

N-[3-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]butanamide (PubChem CID 16981231) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-[3-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]butanamide.

Molecular Properties

Compound NameN-[3-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]butanamide
PubChem CID16981231
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC NameN-[3-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]butanamide
SMILESCCCC(=O)NCCCc1nc2ccccc2n1CC(=O)N(CC)c1ccccc1
InChIInChI=1S/C24H30N4O2/c1-3-11-23(29)25-17-10-16-22-26-20-14-8-9-15-21(20)28(22)18-24(30)27(4-2)19-12-6-5-7-13-19/h5-9,12-15H,3-4,10-11,16-18H2,1-2H3,(H,25,29)
InChIKeyXCSOTRFRHNALQD-UHFFFAOYSA-N
XLogP3.94
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.94
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

2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N-ethyl-N-phenylacetamide
CID 16987946
N-[2-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]butanamide
CID 16974507
N-[3-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methoxybenzamide
CID 16984221
2-chloro-N-[5-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989890
N-ethyl-2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]-N-phenylacetamide
CID 17006635
N-[3-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]butanamide
CID 16981235
N-[5-[1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]butanamide
CID 16988267
N-[2-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]butanamide
CID 16974512
N-[5-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide
CID 16994750
N-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propyl]butanamide
CID 4754809
N-[3-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-phenylacetamide
CID 16984990
N-[3-[1-[2-(4-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]butanamide
CID 17031119

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]butanamide?
The IUPAC name of N-[3-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]butanamide (CID 16981231) is N-[3-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]butanamide.
What is the SMILES notation for N-[3-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]butanamide?
The canonical SMILES for N-[3-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]butanamide is CCCC(=O)NCCCc1nc2ccccc2n1CC(=O)N(CC)c1ccccc1.
What is the InChIKey of N-[3-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]butanamide?
The InChIKey is XCSOTRFRHNALQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-3-11-23(29)25-17-10-16-22-26-20-14-8-9-15-21(20)28(22)18-24(30)27(4-2)19-12-6-5-7-13-19/h5-9,12-15H,3-4,10-11,16-18H2,1-2H3,(H,25,29).
What are the key properties of N-[3-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]butanamide?
N-[3-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]butanamide has a molecular weight of 406.53 g/mol, XLogP of 3.94, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]butanamide is sourced from PubChem (CID 16981231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).