N-[5-(1-butylbenzimidazol-2-yl)pentyl]-2-phenylacetamide

C24H31N3O — CID 16993325

IUPACN-[5-(1-butylbenzimidazol-2-yl)pentyl]-2-phenylacetamide
SMILESCCCCn1c(CCCCCNC(=O)Cc2ccccc2)nc2ccccc21
InChIInChI=1S/C24H31N3O/c1-2-3-18-27-22-15-10-9-14-21(22)26-23(27)16-8-5-11-17-25-24(28)19-20-12-6-4-7-13-20/h4,6-7,9-10,12-15H,2-3,5,8,11,16-19H2,1H3,(H,25,28)
InChIKeyMKATUTZWFYDZPW-UHFFFAOYSA-N
MW377.53 g/mol
LogP4.91
Rot. Bonds11

About N-[5-(1-butylbenzimidazol-2-yl)pentyl]-2-phenylacetamide

N-[5-(1-butylbenzimidazol-2-yl)pentyl]-2-phenylacetamide (PubChem CID 16993325) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is N-[5-(1-butylbenzimidazol-2-yl)pentyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[5-(1-butylbenzimidazol-2-yl)pentyl]-2-phenylacetamide
PubChem CID16993325
Molecular FormulaC24H31N3O
Molecular Weight377.53 g/mol
Exact Mass377.25
IUPAC NameN-[5-(1-butylbenzimidazol-2-yl)pentyl]-2-phenylacetamide
SMILESCCCCn1c(CCCCCNC(=O)Cc2ccccc2)nc2ccccc21
InChIInChI=1S/C24H31N3O/c1-2-3-18-27-22-15-10-9-14-21(22)26-23(27)16-8-5-11-17-25-24(28)19-20-12-6-4-7-13-20/h4,6-7,9-10,12-15H,2-3,5,8,11,16-19H2,1H3,(H,25,28)
InChIKeyMKATUTZWFYDZPW-UHFFFAOYSA-N
XLogP4.91
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[5-(1-butylbenzimidazol-2-yl)pentyl]-2-phenylacetamide 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-phenyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]acetamide
CID 16993334
N-[5-(1-decylbenzimidazol-2-yl)pentyl]-2-(4-phenylphenyl)acetamide
CID 16994305
N-[5-(1-dodecylbenzimidazol-2-yl)pentyl]-3-phenylpropanamide
CID 16992525
N-[3-(1-heptylbenzimidazol-2-yl)propyl]-2-(4-phenylphenyl)acetamide
CID 16985842
N-[3-(1-hexadecylbenzimidazol-2-yl)propyl]-2-(4-phenylphenyl)acetamide
CID 16985848
N-[5-(1-pentylbenzimidazol-2-yl)pentyl]propanamide
CID 16987982
2-(2-methylphenyl)-N-[5-(1-pentylbenzimidazol-2-yl)pentyl]acetamide
CID 16993490
N-[5-(1-octadecylbenzimidazol-2-yl)pentyl]benzamide
CID 16989287
2-(2-chlorophenyl)-N-[5-(1-octylbenzimidazol-2-yl)pentyl]acetamide
CID 16993655
2-(4-methoxyphenyl)-N-[3-(1-nonylbenzimidazol-2-yl)propyl]acetamide
CID 16985520
N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2-(4-methoxyphenyl)acetamide
CID 16985517
N-[2-(1-nonylbenzimidazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide
CID 16979890

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-butylbenzimidazol-2-yl)pentyl]-2-phenylacetamide?
The IUPAC name of N-[5-(1-butylbenzimidazol-2-yl)pentyl]-2-phenylacetamide (CID 16993325) is N-[5-(1-butylbenzimidazol-2-yl)pentyl]-2-phenylacetamide.
What is the SMILES notation for N-[5-(1-butylbenzimidazol-2-yl)pentyl]-2-phenylacetamide?
The canonical SMILES for N-[5-(1-butylbenzimidazol-2-yl)pentyl]-2-phenylacetamide is CCCCn1c(CCCCCNC(=O)Cc2ccccc2)nc2ccccc21.
What is the InChIKey of N-[5-(1-butylbenzimidazol-2-yl)pentyl]-2-phenylacetamide?
The InChIKey is MKATUTZWFYDZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O/c1-2-3-18-27-22-15-10-9-14-21(22)26-23(27)16-8-5-11-17-25-24(28)19-20-12-6-4-7-13-20/h4,6-7,9-10,12-15H,2-3,5,8,11,16-19H2,1H3,(H,25,28).
What are the key properties of N-[5-(1-butylbenzimidazol-2-yl)pentyl]-2-phenylacetamide?
N-[5-(1-butylbenzimidazol-2-yl)pentyl]-2-phenylacetamide has a molecular weight of 377.53 g/mol, XLogP of 4.91, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-butylbenzimidazol-2-yl)pentyl]-2-phenylacetamide is sourced from PubChem (CID 16993325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).