2-(4-chlorophenyl)-N-[2-(1-heptylbenzimidazol-2-yl)ethyl]acetamide

C24H30ClN3O — CID 16979402

IUPAC2-(4-chlorophenyl)-N-[2-(1-heptylbenzimidazol-2-yl)ethyl]acetamide
SMILESCCCCCCCn1c(CCNC(=O)Cc2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C24H30ClN3O/c1-2-3-4-5-8-17-28-22-10-7-6-9-21(22)27-23(28)15-16-26-24(29)18-19-11-13-20(25)14-12-19/h6-7,9-14H,2-5,8,15-18H2,1H3,(H,26,29)
InChIKeyVWMXAUHDLXBXNE-UHFFFAOYSA-N
MW411.98 g/mol
LogP5.56
Rot. Bonds11

About 2-(4-chlorophenyl)-N-[2-(1-heptylbenzimidazol-2-yl)ethyl]acetamide

2-(4-chlorophenyl)-N-[2-(1-heptylbenzimidazol-2-yl)ethyl]acetamide (PubChem CID 16979402) has the molecular formula C24H30ClN3O and a molecular weight of 411.98 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[2-(1-heptylbenzimidazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[2-(1-heptylbenzimidazol-2-yl)ethyl]acetamide
PubChem CID16979402
Molecular FormulaC24H30ClN3O
Molecular Weight411.98 g/mol
Exact Mass411.21
IUPAC Name2-(4-chlorophenyl)-N-[2-(1-heptylbenzimidazol-2-yl)ethyl]acetamide
SMILESCCCCCCCn1c(CCNC(=O)Cc2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C24H30ClN3O/c1-2-3-4-5-8-17-28-22-10-7-6-9-21(22)27-23(28)15-16-26-24(29)18-19-11-13-20(25)14-12-19/h6-7,9-14H,2-5,8,15-18H2,1H3,(H,26,29)
InChIKeyVWMXAUHDLXBXNE-UHFFFAOYSA-N
XLogP5.56
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.98
LogP ≤ 55.56
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-dodecylbenzimidazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide
CID 16979893
N-[2-(1-nonylbenzimidazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide
CID 16979890
2-(4-chlorophenyl)-N-[2-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide
CID 16979490
2-phenyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]acetamide
CID 16993334
N-[3-(1-hexadecylbenzimidazol-2-yl)propyl]-2-(4-phenylphenyl)acetamide
CID 16985848
N-[3-(1-heptylbenzimidazol-2-yl)propyl]-2-(4-phenylphenyl)acetamide
CID 16985842
N-[2-(1-decylbenzimidazol-2-yl)ethyl]-2-(2-methylphenyl)acetamide
CID 16979081
N-[5-(1-decylbenzimidazol-2-yl)pentyl]-2-(4-phenylphenyl)acetamide
CID 16994305
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
4-chloro-N-[3-(1-octadecylbenzimidazol-2-yl)propyl]benzamide
CID 16984573
N-[5-(1-butylbenzimidazol-2-yl)pentyl]-2-phenylacetamide
CID 16993325

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[2-(1-heptylbenzimidazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[2-(1-heptylbenzimidazol-2-yl)ethyl]acetamide (CID 16979402) is 2-(4-chlorophenyl)-N-[2-(1-heptylbenzimidazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[2-(1-heptylbenzimidazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[2-(1-heptylbenzimidazol-2-yl)ethyl]acetamide is CCCCCCCn1c(CCNC(=O)Cc2ccc(Cl)cc2)nc2ccccc21.
What is the InChIKey of 2-(4-chlorophenyl)-N-[2-(1-heptylbenzimidazol-2-yl)ethyl]acetamide?
The InChIKey is VWMXAUHDLXBXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN3O/c1-2-3-4-5-8-17-28-22-10-7-6-9-21(22)27-23(28)15-16-26-24(29)18-19-11-13-20(25)14-12-19/h6-7,9-14H,2-5,8,15-18H2,1H3,(H,26,29).
What are the key properties of 2-(4-chlorophenyl)-N-[2-(1-heptylbenzimidazol-2-yl)ethyl]acetamide?
2-(4-chlorophenyl)-N-[2-(1-heptylbenzimidazol-2-yl)ethyl]acetamide has a molecular weight of 411.98 g/mol, XLogP of 5.56, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[2-(1-heptylbenzimidazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 16979402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).