N-[2-(1-decylbenzimidazol-2-yl)ethyl]-2-(2-methylphenyl)acetamide

C28H39N3O — CID 16979081

IUPACN-[2-(1-decylbenzimidazol-2-yl)ethyl]-2-(2-methylphenyl)acetamide
SMILESCCCCCCCCCCn1c(CCNC(=O)Cc2ccccc2C)nc2ccccc21
InChIInChI=1S/C28H39N3O/c1-3-4-5-6-7-8-9-14-21-31-26-18-13-12-17-25(26)30-27(31)19-20-29-28(32)22-24-16-11-10-15-23(24)2/h10-13,15-18H,3-9,14,19-22H2,1-2H3,(H,29,32)
InChIKeyAZFIBDUKICOWJI-UHFFFAOYSA-N
MW433.64 g/mol
LogP6.39
Rot. Bonds14

About N-[2-(1-decylbenzimidazol-2-yl)ethyl]-2-(2-methylphenyl)acetamide

N-[2-(1-decylbenzimidazol-2-yl)ethyl]-2-(2-methylphenyl)acetamide (PubChem CID 16979081) has the molecular formula C28H39N3O and a molecular weight of 433.64 g/mol. Its IUPAC name is N-[2-(1-decylbenzimidazol-2-yl)ethyl]-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(1-decylbenzimidazol-2-yl)ethyl]-2-(2-methylphenyl)acetamide
PubChem CID16979081
Molecular FormulaC28H39N3O
Molecular Weight433.64 g/mol
Exact Mass433.31
IUPAC NameN-[2-(1-decylbenzimidazol-2-yl)ethyl]-2-(2-methylphenyl)acetamide
SMILESCCCCCCCCCCn1c(CCNC(=O)Cc2ccccc2C)nc2ccccc21
InChIInChI=1S/C28H39N3O/c1-3-4-5-6-7-8-9-14-21-31-26-18-13-12-17-25(26)30-27(31)19-20-29-28(32)22-24-16-11-10-15-23(24)2/h10-13,15-18H,3-9,14,19-22H2,1-2H3,(H,29,32)
InChIKeyAZFIBDUKICOWJI-UHFFFAOYSA-N
XLogP6.39
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.64
LogP ≤ 56.39
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-[2-(1-butylbenzimidazol-2-yl)ethyl]-2-(2-methylphenyl)acetamide
CID 16979073
2-(2-methylphenyl)-N-[5-(1-pentylbenzimidazol-2-yl)pentyl]acetamide
CID 16993490
N-[2-(1-nonylbenzimidazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide
CID 16979890
N-[2-(1-dodecylbenzimidazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide
CID 16979893
2-(4-chlorophenyl)-N-[2-(1-heptylbenzimidazol-2-yl)ethyl]acetamide
CID 16979402
N-[2-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide
CID 16979156
N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-(2-methylphenyl)acetamide
CID 16985019
2-methoxy-N-[2-(1-nonylbenzimidazol-2-yl)ethyl]acetamide
CID 16974546
2-(2-chlorophenyl)-N-[3-(1-dodecylbenzimidazol-2-yl)propyl]acetamide
CID 16985199
2-(2-methylphenyl)-N-[5-[1-(2-phenylethyl)benzimidazol-2-yl]pentyl]acetamide
CID 16993525
N-[2-[1-[3-(2,5-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide
CID 16979146
N-[2-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide
CID 16979182

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-decylbenzimidazol-2-yl)ethyl]-2-(2-methylphenyl)acetamide?
The IUPAC name of N-[2-(1-decylbenzimidazol-2-yl)ethyl]-2-(2-methylphenyl)acetamide (CID 16979081) is N-[2-(1-decylbenzimidazol-2-yl)ethyl]-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-[2-(1-decylbenzimidazol-2-yl)ethyl]-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-[2-(1-decylbenzimidazol-2-yl)ethyl]-2-(2-methylphenyl)acetamide is CCCCCCCCCCn1c(CCNC(=O)Cc2ccccc2C)nc2ccccc21.
What is the InChIKey of N-[2-(1-decylbenzimidazol-2-yl)ethyl]-2-(2-methylphenyl)acetamide?
The InChIKey is AZFIBDUKICOWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N3O/c1-3-4-5-6-7-8-9-14-21-31-26-18-13-12-17-25(26)30-27(31)19-20-29-28(32)22-24-16-11-10-15-23(24)2/h10-13,15-18H,3-9,14,19-22H2,1-2H3,(H,29,32).
What are the key properties of N-[2-(1-decylbenzimidazol-2-yl)ethyl]-2-(2-methylphenyl)acetamide?
N-[2-(1-decylbenzimidazol-2-yl)ethyl]-2-(2-methylphenyl)acetamide has a molecular weight of 433.64 g/mol, XLogP of 6.39, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-decylbenzimidazol-2-yl)ethyl]-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 16979081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).