N-[3-[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]-2-phenylacetamide

C29H33N3O2 — CID 16984937

IUPACN-[3-[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]-2-phenylacetamide
SMILESCc1cccc(C)c1OCCCn1c(CCCNC(=O)Cc2ccccc2)nc2ccccc21
InChIInChI=1S/C29H33N3O2/c1-22-11-8-12-23(2)29(22)34-20-10-19-32-26-16-7-6-15-25(26)31-27(32)17-9-18-30-28(33)21-24-13-4-3-5-14-24/h3-8,11-16H,9-10,17-21H2,1-2H3,(H,30,33)
InChIKeyRUYDPQLBOIZESG-UHFFFAOYSA-N
MW455.60 g/mol
LogP5.41
Rot. Bonds11

About N-[3-[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]-2-phenylacetamide

N-[3-[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]-2-phenylacetamide (PubChem CID 16984937) has the molecular formula C29H33N3O2 and a molecular weight of 455.60 g/mol. Its IUPAC name is N-[3-[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[3-[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]-2-phenylacetamide
PubChem CID16984937
Molecular FormulaC29H33N3O2
Molecular Weight455.60 g/mol
Exact Mass455.26
IUPAC NameN-[3-[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]-2-phenylacetamide
SMILESCc1cccc(C)c1OCCCn1c(CCCNC(=O)Cc2ccccc2)nc2ccccc21
InChIInChI=1S/C29H33N3O2/c1-22-11-8-12-23(2)29(22)34-20-10-19-32-26-16-7-6-15-25(26)31-27(32)17-9-18-30-28(33)21-24-13-4-3-5-14-24/h3-8,11-16H,9-10,17-21H2,1-2H3,(H,30,33)
InChIKeyRUYDPQLBOIZESG-UHFFFAOYSA-N
XLogP5.41
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.60
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenyl)-N-[3-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]acetamide
CID 16985452
N-[3-[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]-2-methylpropanamide
CID 16980865
N-[3-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]propanamide
CID 16980760
N-[5-[1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-(4-phenylphenyl)acetamide
CID 16994344
N-[5-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]-3-phenylpropanamide
CID 16992616
N-[5-[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide
CID 16988051
N-[5-[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-methylpropanamide
CID 16988699
N-[3-[1-[4-(2,3-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]-2-(4-phenylphenyl)acetamide
CID 16985936
N-[3-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]prop-2-enamide
CID 16986805
N-[3-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide
CID 16981715
N-[5-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide
CID 16994722
N-[3-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]-2-methoxybenzamide
CID 16982927

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]-2-phenylacetamide?
The IUPAC name of N-[3-[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]-2-phenylacetamide (CID 16984937) is N-[3-[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]-2-phenylacetamide.
What is the SMILES notation for N-[3-[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]-2-phenylacetamide?
The canonical SMILES for N-[3-[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]-2-phenylacetamide is Cc1cccc(C)c1OCCCn1c(CCCNC(=O)Cc2ccccc2)nc2ccccc21.
What is the InChIKey of N-[3-[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]-2-phenylacetamide?
The InChIKey is RUYDPQLBOIZESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O2/c1-22-11-8-12-23(2)29(22)34-20-10-19-32-26-16-7-6-15-25(26)31-27(32)17-9-18-30-28(33)21-24-13-4-3-5-14-24/h3-8,11-16H,9-10,17-21H2,1-2H3,(H,30,33).
What are the key properties of N-[3-[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]-2-phenylacetamide?
N-[3-[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]-2-phenylacetamide has a molecular weight of 455.60 g/mol, XLogP of 5.41, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]-2-phenylacetamide is sourced from PubChem (CID 16984937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).