2-(4-chlorophenyl)-N-[3-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]acetamide

C30H34ClN3O2 — CID 16985452

IUPAC2-(4-chlorophenyl)-N-[3-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]acetamide
SMILESCc1cccc(C)c1OCCCCn1c(CCCNC(=O)Cc2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C30H34ClN3O2/c1-22-9-7-10-23(2)30(22)36-20-6-5-19-34-27-12-4-3-11-26(27)33-28(34)13-8-18-32-29(35)21-24-14-16-25(31)17-15-24/h3-4,7,9-12,14-17H,5-6,8,13,18-21H2,1-2H3,(H,32,35)
InChIKeyFJCAWHWIAUTCLY-UHFFFAOYSA-N
MW504.07 g/mol
LogP6.46
Rot. Bonds12

About 2-(4-chlorophenyl)-N-[3-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]acetamide

2-(4-chlorophenyl)-N-[3-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]acetamide (PubChem CID 16985452) has the molecular formula C30H34ClN3O2 and a molecular weight of 504.07 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[3-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[3-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]acetamide
PubChem CID16985452
Molecular FormulaC30H34ClN3O2
Molecular Weight504.07 g/mol
Exact Mass503.23
IUPAC Name2-(4-chlorophenyl)-N-[3-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]acetamide
SMILESCc1cccc(C)c1OCCCCn1c(CCCNC(=O)Cc2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C30H34ClN3O2/c1-22-9-7-10-23(2)30(22)36-20-6-5-19-34-27-12-4-3-11-26(27)33-28(34)13-8-18-32-29(35)21-24-14-16-25(31)17-15-24/h3-4,7,9-12,14-17H,5-6,8,13,18-21H2,1-2H3,(H,32,35)
InChIKeyFJCAWHWIAUTCLY-UHFFFAOYSA-N
XLogP6.46
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.07
LogP ≤ 56.46
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

N-[3-[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]-2-phenylacetamide
CID 16984937
2-(4-chlorophenyl)-N-[5-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide
CID 16993909
2-(4-chlorophenyl)-N-[3-[1-[4-(2,5-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]acetamide
CID 16985453
N-[3-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]propanamide
CID 16980760
2-(4-chlorophenoxy)-N-[5-[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]acetamide
CID 16993235
4-chloro-N-[5-[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991453
2-(4-chlorophenyl)-N-[3-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]propyl]acetamide
CID 16985455
N-[5-[1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-(4-phenylphenyl)acetamide
CID 16994344
2-(4-chlorophenoxy)-N-[5-[1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide
CID 16993210
N-[3-[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]-2-methylpropanamide
CID 16980865
N-[5-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]-3-phenylpropanamide
CID 16992616
2-chloro-N-[5-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989862

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[3-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[3-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]acetamide (CID 16985452) is 2-(4-chlorophenyl)-N-[3-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[3-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[3-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]acetamide is Cc1cccc(C)c1OCCCCn1c(CCCNC(=O)Cc2ccc(Cl)cc2)nc2ccccc21.
What is the InChIKey of 2-(4-chlorophenyl)-N-[3-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]acetamide?
The InChIKey is FJCAWHWIAUTCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34ClN3O2/c1-22-9-7-10-23(2)30(22)36-20-6-5-19-34-27-12-4-3-11-26(27)33-28(34)13-8-18-32-29(35)21-24-14-16-25(31)17-15-24/h3-4,7,9-12,14-17H,5-6,8,13,18-21H2,1-2H3,(H,32,35).
What are the key properties of 2-(4-chlorophenyl)-N-[3-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]acetamide?
2-(4-chlorophenyl)-N-[3-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]acetamide has a molecular weight of 504.07 g/mol, XLogP of 6.46, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[3-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]acetamide is sourced from PubChem (CID 16985452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).