2-phenyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]acetamide

C31H45N3O — CID 16993334

IUPAC2-phenyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]acetamide
SMILESCCCCCCCCCCCn1c(CCCCCNC(=O)Cc2ccccc2)nc2ccccc21
InChIInChI=1S/C31H45N3O/c1-2-3-4-5-6-7-8-9-18-25-34-29-22-16-15-21-28(29)33-30(34)23-14-11-17-24-32-31(35)26-27-19-12-10-13-20-27/h10,12-13,15-16,19-22H,2-9,11,14,17-18,23-26H2,1H3,(H,32,35)
InChIKeyHQDBVKNVACPLNN-UHFFFAOYSA-N
MW475.72 g/mol
LogP7.64
Rot. Bonds18

About 2-phenyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]acetamide

2-phenyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]acetamide (PubChem CID 16993334) has the molecular formula C31H45N3O and a molecular weight of 475.72 g/mol. Its IUPAC name is 2-phenyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]acetamide.

Molecular Properties

Compound Name2-phenyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]acetamide
PubChem CID16993334
Molecular FormulaC31H45N3O
Molecular Weight475.72 g/mol
Exact Mass475.36
IUPAC Name2-phenyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]acetamide
SMILESCCCCCCCCCCCn1c(CCCCCNC(=O)Cc2ccccc2)nc2ccccc21
InChIInChI=1S/C31H45N3O/c1-2-3-4-5-6-7-8-9-18-25-34-29-22-16-15-21-28(29)33-30(34)23-14-11-17-24-32-31(35)26-27-19-12-10-13-20-27/h10,12-13,15-16,19-22H,2-9,11,14,17-18,23-26H2,1H3,(H,32,35)
InChIKeyHQDBVKNVACPLNN-UHFFFAOYSA-N
XLogP7.64
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.72
LogP ≤ 57.64
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-[5-(1-butylbenzimidazol-2-yl)pentyl]-2-phenylacetamide
CID 16993325
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
N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2-(4-methoxyphenyl)acetamide
CID 16985517
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-[2-(1-nonylbenzimidazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide
CID 16979890

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]acetamide?
The IUPAC name of 2-phenyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]acetamide (CID 16993334) is 2-phenyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]acetamide.
What is the SMILES notation for 2-phenyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]acetamide?
The canonical SMILES for 2-phenyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]acetamide is CCCCCCCCCCCn1c(CCCCCNC(=O)Cc2ccccc2)nc2ccccc21.
What is the InChIKey of 2-phenyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]acetamide?
The InChIKey is HQDBVKNVACPLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H45N3O/c1-2-3-4-5-6-7-8-9-18-25-34-29-22-16-15-21-28(29)33-30(34)23-14-11-17-24-32-31(35)26-27-19-12-10-13-20-27/h10,12-13,15-16,19-22H,2-9,11,14,17-18,23-26H2,1H3,(H,32,35).
What are the key properties of 2-phenyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]acetamide?
2-phenyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]acetamide has a molecular weight of 475.72 g/mol, XLogP of 7.64, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]acetamide is sourced from PubChem (CID 16993334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).