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

C29H33N3O — CID 16971563

IUPACN-[1-(1-hexylbenzimidazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide
SMILESCCCCCCn1c(C(C)NC(=O)Cc2ccc(-c3ccccc3)cc2)nc2ccccc21
InChIInChI=1S/C29H33N3O/c1-3-4-5-11-20-32-27-15-10-9-14-26(27)31-29(32)22(2)30-28(33)21-23-16-18-25(19-17-23)24-12-7-6-8-13-24/h6-10,12-19,22H,3-5,11,20-21H2,1-2H3,(H,30,33)
InChIKeyZMFDMYUDLJTOAP-UHFFFAOYSA-N
MW439.60 g/mol
LogP6.70
Rot. Bonds10

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

N-[1-(1-hexylbenzimidazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide (PubChem CID 16971563) has the molecular formula C29H33N3O and a molecular weight of 439.60 g/mol. Its IUPAC name is N-[1-(1-hexylbenzimidazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide.

Molecular Properties

Compound NameN-[1-(1-hexylbenzimidazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide
PubChem CID16971563
Molecular FormulaC29H33N3O
Molecular Weight439.60 g/mol
Exact Mass439.26
IUPAC NameN-[1-(1-hexylbenzimidazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide
SMILESCCCCCCn1c(C(C)NC(=O)Cc2ccc(-c3ccccc3)cc2)nc2ccccc21
InChIInChI=1S/C29H33N3O/c1-3-4-5-11-20-32-27-15-10-9-14-26(27)31-29(32)22(2)30-28(33)21-23-16-18-25(19-17-23)24-12-7-6-8-13-24/h6-10,12-19,22H,3-5,11,20-21H2,1-2H3,(H,30,33)
InChIKeyZMFDMYUDLJTOAP-UHFFFAOYSA-N
XLogP6.70
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.60
LogP ≤ 56.70
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-octylbenzimidazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide
CID 16971565
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-hexylbenzimidazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide?
The IUPAC name of N-[1-(1-hexylbenzimidazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide (CID 16971563) is N-[1-(1-hexylbenzimidazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide.
What is the SMILES notation for N-[1-(1-hexylbenzimidazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide?
The canonical SMILES for N-[1-(1-hexylbenzimidazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide is CCCCCCn1c(C(C)NC(=O)Cc2ccc(-c3ccccc3)cc2)nc2ccccc21.
What is the InChIKey of N-[1-(1-hexylbenzimidazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide?
The InChIKey is ZMFDMYUDLJTOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O/c1-3-4-5-11-20-32-27-15-10-9-14-26(27)31-29(32)22(2)30-28(33)21-23-16-18-25(19-17-23)24-12-7-6-8-13-24/h6-10,12-19,22H,3-5,11,20-21H2,1-2H3,(H,30,33).
What are the key properties of N-[1-(1-hexylbenzimidazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide?
N-[1-(1-hexylbenzimidazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide has a molecular weight of 439.60 g/mol, XLogP of 6.70, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-hexylbenzimidazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide is sourced from PubChem (CID 16971563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).