N-[(1-pentylbenzimidazol-2-yl)methyl]-3-phenylpropanamide

C22H27N3O — CID 16970596

IUPACN-[(1-pentylbenzimidazol-2-yl)methyl]-3-phenylpropanamide
SMILESCCCCCn1c(CNC(=O)CCc2ccccc2)nc2ccccc21
InChIInChI=1S/C22H27N3O/c1-2-3-9-16-25-20-13-8-7-12-19(20)24-21(25)17-23-22(26)15-14-18-10-5-4-6-11-18/h4-8,10-13H,2-3,9,14-17H2,1H3,(H,23,26)
InChIKeyFXYIQSLXYLHKJB-UHFFFAOYSA-N
MW349.48 g/mol
LogP4.48
Rot. Bonds9

About N-[(1-pentylbenzimidazol-2-yl)methyl]-3-phenylpropanamide

N-[(1-pentylbenzimidazol-2-yl)methyl]-3-phenylpropanamide (PubChem CID 16970596) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is N-[(1-pentylbenzimidazol-2-yl)methyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(1-pentylbenzimidazol-2-yl)methyl]-3-phenylpropanamide
PubChem CID16970596
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC NameN-[(1-pentylbenzimidazol-2-yl)methyl]-3-phenylpropanamide
SMILESCCCCCn1c(CNC(=O)CCc2ccccc2)nc2ccccc21
InChIInChI=1S/C22H27N3O/c1-2-3-9-16-25-20-13-8-7-12-19(20)24-21(25)17-23-22(26)15-14-18-10-5-4-6-11-18/h4-8,10-13H,2-3,9,14-17H2,1H3,(H,23,26)
InChIKeyFXYIQSLXYLHKJB-UHFFFAOYSA-N
XLogP4.48
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-hexadecylbenzimidazol-2-yl)methyl]butanamide
CID 16968866
N-[5-(1-dodecylbenzimidazol-2-yl)pentyl]-3-phenylpropanamide
CID 16992525
N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-phenylpropanamide
CID 16970595
N-[[1-[4-(3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]-3-phenylpropanamide
CID 16970706
N-[(1-hexadecylbenzimidazol-2-yl)methyl]-2-phenoxyacetamide
CID 16970928
N-[(1-nonylbenzimidazol-2-yl)methyl]acetamide
CID 17005899
N-[1-(1-hexylbenzimidazol-2-yl)ethyl]-3-phenylpropanamide
CID 16970435
3-phenyl-N-[2-[1-(2-phenylethyl)benzimidazol-2-yl]ethyl]propanamide
CID 16978263
N-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]-3-phenylpropanamide
CID 16970632
N-[(1-dodecylbenzimidazol-2-yl)methyl]-2-methylprop-2-enamide
CID 16972370
N-[(1-heptylbenzimidazol-2-yl)methyl]-2-methylprop-2-enamide
CID 16972365
N-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-3-phenylpropanamide
CID 16970622

Frequently Asked Questions

What is the IUPAC name of N-[(1-pentylbenzimidazol-2-yl)methyl]-3-phenylpropanamide?
The IUPAC name of N-[(1-pentylbenzimidazol-2-yl)methyl]-3-phenylpropanamide (CID 16970596) is N-[(1-pentylbenzimidazol-2-yl)methyl]-3-phenylpropanamide.
What is the SMILES notation for N-[(1-pentylbenzimidazol-2-yl)methyl]-3-phenylpropanamide?
The canonical SMILES for N-[(1-pentylbenzimidazol-2-yl)methyl]-3-phenylpropanamide is CCCCCn1c(CNC(=O)CCc2ccccc2)nc2ccccc21.
What is the InChIKey of N-[(1-pentylbenzimidazol-2-yl)methyl]-3-phenylpropanamide?
The InChIKey is FXYIQSLXYLHKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c1-2-3-9-16-25-20-13-8-7-12-19(20)24-21(25)17-23-22(26)15-14-18-10-5-4-6-11-18/h4-8,10-13H,2-3,9,14-17H2,1H3,(H,23,26).
What are the key properties of N-[(1-pentylbenzimidazol-2-yl)methyl]-3-phenylpropanamide?
N-[(1-pentylbenzimidazol-2-yl)methyl]-3-phenylpropanamide has a molecular weight of 349.48 g/mol, XLogP of 4.48, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-pentylbenzimidazol-2-yl)methyl]-3-phenylpropanamide is sourced from PubChem (CID 16970596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).