N-[3-(1-hexadecylbenzimidazol-2-yl)propyl]-2-(4-phenylphenyl)acetamide

C40H55N3O — CID 16985848

IUPACN-[3-(1-hexadecylbenzimidazol-2-yl)propyl]-2-(4-phenylphenyl)acetamide
SMILESCCCCCCCCCCCCCCCCn1c(CCCNC(=O)Cc2ccc(-c3ccccc3)cc2)nc2ccccc21
InChIInChI=1S/C40H55N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-32-43-38-25-19-18-24-37(38)42-39(43)26-21-31-41-40(44)33-34-27-29-36(30-28-34)35-22-16-15-17-23-35/h15-19,22-25,27-30H,2-14,20-21,26,31-33H2,1H3,(H,41,44)
InChIKeyCXDGZMDNAGKIPB-UHFFFAOYSA-N
MW593.90 g/mol
LogP10.48
Rot. Bonds22

About N-[3-(1-hexadecylbenzimidazol-2-yl)propyl]-2-(4-phenylphenyl)acetamide

N-[3-(1-hexadecylbenzimidazol-2-yl)propyl]-2-(4-phenylphenyl)acetamide (PubChem CID 16985848) has the molecular formula C40H55N3O and a molecular weight of 593.90 g/mol. Its IUPAC name is N-[3-(1-hexadecylbenzimidazol-2-yl)propyl]-2-(4-phenylphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(1-hexadecylbenzimidazol-2-yl)propyl]-2-(4-phenylphenyl)acetamide
PubChem CID16985848
Molecular FormulaC40H55N3O
Molecular Weight593.90 g/mol
Exact Mass593.43
IUPAC NameN-[3-(1-hexadecylbenzimidazol-2-yl)propyl]-2-(4-phenylphenyl)acetamide
SMILESCCCCCCCCCCCCCCCCn1c(CCCNC(=O)Cc2ccc(-c3ccccc3)cc2)nc2ccccc21
InChIInChI=1S/C40H55N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-32-43-38-25-19-18-24-37(38)42-39(43)26-21-31-41-40(44)33-34-27-29-36(30-28-34)35-22-16-15-17-23-35/h15-19,22-25,27-30H,2-14,20-21,26,31-33H2,1H3,(H,41,44)
InChIKeyCXDGZMDNAGKIPB-UHFFFAOYSA-N
XLogP10.48
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.90
LogP ≤ 510.48
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-[3-(1-heptylbenzimidazol-2-yl)propyl]-2-(4-phenylphenyl)acetamide
CID 16985842
N-[5-(1-decylbenzimidazol-2-yl)pentyl]-2-(4-phenylphenyl)acetamide
CID 16994305
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-phenyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]acetamide
CID 16993334
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-[5-(1-butylbenzimidazol-2-yl)pentyl]-2-phenylacetamide
CID 16993325
N-[3-(1-benzylbenzimidazol-2-yl)propyl]-2-(4-phenylphenyl)acetamide
CID 16985850
2-(4-chlorophenyl)-N-[2-(1-heptylbenzimidazol-2-yl)ethyl]acetamide
CID 16979402
N-[3-(1-undecylbenzimidazol-2-yl)propyl]benzamide
CID 16982202
N-[3-[1-[4-(3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]-2-(4-phenylphenyl)acetamide
CID 16985950

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-hexadecylbenzimidazol-2-yl)propyl]-2-(4-phenylphenyl)acetamide?
The IUPAC name of N-[3-(1-hexadecylbenzimidazol-2-yl)propyl]-2-(4-phenylphenyl)acetamide (CID 16985848) is N-[3-(1-hexadecylbenzimidazol-2-yl)propyl]-2-(4-phenylphenyl)acetamide.
What is the SMILES notation for N-[3-(1-hexadecylbenzimidazol-2-yl)propyl]-2-(4-phenylphenyl)acetamide?
The canonical SMILES for N-[3-(1-hexadecylbenzimidazol-2-yl)propyl]-2-(4-phenylphenyl)acetamide is CCCCCCCCCCCCCCCCn1c(CCCNC(=O)Cc2ccc(-c3ccccc3)cc2)nc2ccccc21.
What is the InChIKey of N-[3-(1-hexadecylbenzimidazol-2-yl)propyl]-2-(4-phenylphenyl)acetamide?
The InChIKey is CXDGZMDNAGKIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H55N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-32-43-38-25-19-18-24-37(38)42-39(43)26-21-31-41-40(44)33-34-27-29-36(30-28-34)35-22-16-15-17-23-35/h15-19,22-25,27-30H,2-14,20-21,26,31-33H2,1H3,(H,41,44).
What are the key properties of N-[3-(1-hexadecylbenzimidazol-2-yl)propyl]-2-(4-phenylphenyl)acetamide?
N-[3-(1-hexadecylbenzimidazol-2-yl)propyl]-2-(4-phenylphenyl)acetamide has a molecular weight of 593.90 g/mol, XLogP of 10.48, 22 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-hexadecylbenzimidazol-2-yl)propyl]-2-(4-phenylphenyl)acetamide is sourced from PubChem (CID 16985848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).