N-[1-(1-octylbenzimidazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide

C31H37N3O — CID 16971565

IUPACN-[1-(1-octylbenzimidazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide
SMILESCCCCCCCCn1c(C(C)NC(=O)Cc2ccc(-c3ccccc3)cc2)nc2ccccc21
InChIInChI=1S/C31H37N3O/c1-3-4-5-6-7-13-22-34-29-17-12-11-16-28(29)33-31(34)24(2)32-30(35)23-25-18-20-27(21-19-25)26-14-9-8-10-15-26/h8-12,14-21,24H,3-7,13,22-23H2,1-2H3,(H,32,35)
InChIKeyBVFBPEPBSGXTBV-UHFFFAOYSA-N
MW467.66 g/mol
LogP7.48
Rot. Bonds12

About N-[1-(1-octylbenzimidazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide

N-[1-(1-octylbenzimidazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide (PubChem CID 16971565) has the molecular formula C31H37N3O and a molecular weight of 467.66 g/mol. Its IUPAC name is N-[1-(1-octylbenzimidazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide.

Molecular Properties

Compound NameN-[1-(1-octylbenzimidazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide
PubChem CID16971565
Molecular FormulaC31H37N3O
Molecular Weight467.66 g/mol
Exact Mass467.29
IUPAC NameN-[1-(1-octylbenzimidazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide
SMILESCCCCCCCCn1c(C(C)NC(=O)Cc2ccc(-c3ccccc3)cc2)nc2ccccc21
InChIInChI=1S/C31H37N3O/c1-3-4-5-6-7-13-22-34-29-17-12-11-16-28(29)33-31(34)24(2)32-30(35)23-25-18-20-27(21-19-25)26-14-9-8-10-15-26/h8-12,14-21,24H,3-7,13,22-23H2,1-2H3,(H,32,35)
InChIKeyBVFBPEPBSGXTBV-UHFFFAOYSA-N
XLogP7.48
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.66
LogP ≤ 57.48
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-(1-hexylbenzimidazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide
CID 16971563
2-(4-methoxyphenyl)-N-[1-(1-octadecylbenzimidazol-2-yl)ethyl]acetamide
CID 16972683
N-[1-(1-undecylbenzimidazol-2-yl)ethyl]propanamide
CID 16968572
N-[1-(1-butylbenzimidazol-2-yl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 16972671
N-[1-(1-hexylbenzimidazol-2-yl)ethyl]-3-phenylpropanamide
CID 16970435
N-[(1S)-1-(1-pentylbenzimidazol-2-yl)ethyl]butanamide
CID 7023923
2-(4-methoxyphenyl)-N-[1-(1-propylbenzimidazol-2-yl)ethyl]acetamide
CID 16972665
N-[1-[1-[3-(2,3-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide
CID 16971629
N-[1-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide
CID 16971556
N-[(1R)-1-(1-pentylbenzimidazol-2-yl)ethyl]acetamide
CID 7023918
N-[(1R)-1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 7694098
2-(4-chlorophenyl)-N-[1-[1-(4-phenoxybutyl)benzimidazol-2-yl]ethyl]acetamide
CID 16973092

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-octylbenzimidazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide?
The IUPAC name of N-[1-(1-octylbenzimidazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide (CID 16971565) is N-[1-(1-octylbenzimidazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide.
What is the SMILES notation for N-[1-(1-octylbenzimidazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide?
The canonical SMILES for N-[1-(1-octylbenzimidazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide is CCCCCCCCn1c(C(C)NC(=O)Cc2ccc(-c3ccccc3)cc2)nc2ccccc21.
What is the InChIKey of N-[1-(1-octylbenzimidazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide?
The InChIKey is BVFBPEPBSGXTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37N3O/c1-3-4-5-6-7-13-22-34-29-17-12-11-16-28(29)33-31(34)24(2)32-30(35)23-25-18-20-27(21-19-25)26-14-9-8-10-15-26/h8-12,14-21,24H,3-7,13,22-23H2,1-2H3,(H,32,35).
What are the key properties of N-[1-(1-octylbenzimidazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide?
N-[1-(1-octylbenzimidazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide has a molecular weight of 467.66 g/mol, XLogP of 7.48, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-octylbenzimidazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide is sourced from PubChem (CID 16971565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).