2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N-butyl-N-methylacetamide

C21H32N4O2 — CID 16987945

IUPAC2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N-butyl-N-methylacetamide
SMILESCCCCN(C)C(=O)Cn1c(CCCCCNC(C)=O)nc2ccccc21
InChIInChI=1S/C21H32N4O2/c1-4-5-15-24(3)21(27)16-25-19-12-9-8-11-18(19)23-20(25)13-7-6-10-14-22-17(2)26/h8-9,11-12H,4-7,10,13-16H2,1-3H3,(H,22,26)
InChIKeyUIYIJWAIJSYOOP-UHFFFAOYSA-N
MW372.51 g/mol
LogP3.14
Rot. Bonds11

About 2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N-butyl-N-methylacetamide

2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N-butyl-N-methylacetamide (PubChem CID 16987945) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is 2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N-butyl-N-methylacetamide.

Molecular Properties

Compound Name2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N-butyl-N-methylacetamide
PubChem CID16987945
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC Name2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N-butyl-N-methylacetamide
SMILESCCCCN(C)C(=O)Cn1c(CCCCCNC(C)=O)nc2ccccc21
InChIInChI=1S/C21H32N4O2/c1-4-5-15-24(3)21(27)16-25-19-12-9-8-11-18(19)23-20(25)13-7-6-10-14-22-17(2)26/h8-9,11-12H,4-7,10,13-16H2,1-3H3,(H,22,26)
InChIKeyUIYIJWAIJSYOOP-UHFFFAOYSA-N
XLogP3.14
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N-butyl-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N,N-dipropylacetamide
CID 16987942
N-[3-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-ethylbutanamide
CID 16981083
N-[5-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-2-(4-methoxyphenyl)acetamide
CID 16994101
N-butyl-2-[2-(2-hydroxyethyl)benzimidazol-1-yl]-N-methylacetamide
CID 19242365
2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N,N-di(butan-2-yl)acetamide
CID 16987966
N-[2-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide
CID 16974938
2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N-ethyl-N-phenylacetamide
CID 16987946
N-[2-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]butanamide
CID 16974512
N-[5-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-3-methoxybenzamide
CID 16990861
2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-benzyl-N-methylacetamide
CID 16980647
N-butyl-2-(2-ethylbenzimidazol-1-yl)-N-methylacetamide
CID 16996476
N-[3-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methoxybenzamide
CID 16984220

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N-butyl-N-methylacetamide?
The IUPAC name of 2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N-butyl-N-methylacetamide (CID 16987945) is 2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N-butyl-N-methylacetamide.
What is the SMILES notation for 2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N-butyl-N-methylacetamide?
The canonical SMILES for 2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N-butyl-N-methylacetamide is CCCCN(C)C(=O)Cn1c(CCCCCNC(C)=O)nc2ccccc21.
What is the InChIKey of 2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N-butyl-N-methylacetamide?
The InChIKey is UIYIJWAIJSYOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-4-5-15-24(3)21(27)16-25-19-12-9-8-11-18(19)23-20(25)13-7-6-10-14-22-17(2)26/h8-9,11-12H,4-7,10,13-16H2,1-3H3,(H,22,26).
What are the key properties of 2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N-butyl-N-methylacetamide?
2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N-butyl-N-methylacetamide has a molecular weight of 372.51 g/mol, XLogP of 3.14, 11 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-butyl-N-methylacetamide is sourced from PubChem (CID 16987945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).