2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N-ethyl-N-phenylacetamide

C24H30N4O2 — CID 16987946

IUPAC2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N-ethyl-N-phenylacetamide
SMILESCCN(C(=O)Cn1c(CCCCCNC(C)=O)nc2ccccc21)c1ccccc1
InChIInChI=1S/C24H30N4O2/c1-3-27(20-12-6-4-7-13-20)24(30)18-28-22-15-10-9-14-21(22)26-23(28)16-8-5-11-17-25-19(2)29/h4,6-7,9-10,12-15H,3,5,8,11,16-18H2,1-2H3,(H,25,29)
InChIKeyALVMYVNELFDMAB-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.94
Rot. Bonds10

About 2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N-ethyl-N-phenylacetamide

2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N-ethyl-N-phenylacetamide (PubChem CID 16987946) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N-ethyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N-ethyl-N-phenylacetamide
PubChem CID16987946
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC Name2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N-ethyl-N-phenylacetamide
SMILESCCN(C(=O)Cn1c(CCCCCNC(C)=O)nc2ccccc21)c1ccccc1
InChIInChI=1S/C24H30N4O2/c1-3-27(20-12-6-4-7-13-20)24(30)18-28-22-15-10-9-14-21(22)26-23(28)16-8-5-11-17-25-19(2)29/h4,6-7,9-10,12-15H,3,5,8,11,16-18H2,1-2H3,(H,25,29)
InChIKeyALVMYVNELFDMAB-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-chloro-N-[5-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989890
N-[5-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide
CID 16994750
N-[3-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]butanamide
CID 16981231
2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N,N-dipropylacetamide
CID 16987942
2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N,N-di(butan-2-yl)acetamide
CID 16987966
2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N-butyl-N-methylacetamide
CID 16987945
N-[3-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methoxybenzamide
CID 16984221
2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-benzyl-N-methylacetamide
CID 16980647
N-ethyl-2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]-N-phenylacetamide
CID 17006635
N-[3-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]propyl]acetamide
CID 16980523
N-[3-(1-heptylbenzimidazol-2-yl)propyl]acetamide
CID 16980528
3-bromo-N-[2-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977868

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N-ethyl-N-phenylacetamide?
The IUPAC name of 2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N-ethyl-N-phenylacetamide (CID 16987946) is 2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N-ethyl-N-phenylacetamide.
What is the SMILES notation for 2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N-ethyl-N-phenylacetamide?
The canonical SMILES for 2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N-ethyl-N-phenylacetamide is CCN(C(=O)Cn1c(CCCCCNC(C)=O)nc2ccccc21)c1ccccc1.
What is the InChIKey of 2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N-ethyl-N-phenylacetamide?
The InChIKey is ALVMYVNELFDMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-3-27(20-12-6-4-7-13-20)24(30)18-28-22-15-10-9-14-21(22)26-23(28)16-8-5-11-17-25-19(2)29/h4,6-7,9-10,12-15H,3,5,8,11,16-18H2,1-2H3,(H,25,29).
What are the key properties of 2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N-ethyl-N-phenylacetamide?
2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N-ethyl-N-phenylacetamide 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 2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N-ethyl-N-phenylacetamide is sourced from PubChem (CID 16987946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).