4-chloro-N-[[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide

C27H28ClN3O2 — CID 17009086

IUPAC4-chloro-N-[[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
SMILESCc1cccc(C)c1OCCCCn1c(CNC(=O)c2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C27H28ClN3O2/c1-19-8-7-9-20(2)26(19)33-17-6-5-16-31-24-11-4-3-10-23(24)30-25(31)18-29-27(32)21-12-14-22(28)15-13-21/h3-4,7-15H,5-6,16-18H2,1-2H3,(H,29,32)
InChIKeyLHFKKAIJJJBNHZ-UHFFFAOYSA-N
MW461.99 g/mol
LogP6.10
Rot. Bonds9

About 4-chloro-N-[[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide

4-chloro-N-[[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide (PubChem CID 17009086) has the molecular formula C27H28ClN3O2 and a molecular weight of 461.99 g/mol. Its IUPAC name is 4-chloro-N-[[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
PubChem CID17009086
Molecular FormulaC27H28ClN3O2
Molecular Weight461.99 g/mol
Exact Mass461.19
IUPAC Name4-chloro-N-[[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
SMILESCc1cccc(C)c1OCCCCn1c(CNC(=O)c2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C27H28ClN3O2/c1-19-8-7-9-20(2)26(19)33-17-6-5-16-31-24-11-4-3-10-23(24)30-25(31)18-29-27(32)21-12-14-22(28)15-13-21/h3-4,7-15H,5-6,16-18H2,1-2H3,(H,29,32)
InChIKeyLHFKKAIJJJBNHZ-UHFFFAOYSA-N
XLogP6.10
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.99
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-chloro-N-[[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-[5-[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991453
N-[[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]-2-methylbenzamide
CID 17006880
4-chloro-N-[1-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009562
N-[[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide
CID 16966576
N-[[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]methyl]-4-chlorobenzamide
CID 17009076
2-(4-chlorophenyl)-N-[3-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]acetamide
CID 16985452
N-[2-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide
CID 16976774
N-[[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]butanamide
CID 16968918
N-[[1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide
CID 16966551
N-[[1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide
CID 16963959
3-chloro-N-[[1-[4-(4-chloro-3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
CID 17008370
N-[[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]-2,4-dimethylbenzamide
CID 17007056

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide?
The IUPAC name of 4-chloro-N-[[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide (CID 17009086) is 4-chloro-N-[[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide.
What is the SMILES notation for 4-chloro-N-[[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide?
The canonical SMILES for 4-chloro-N-[[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide is Cc1cccc(C)c1OCCCCn1c(CNC(=O)c2ccc(Cl)cc2)nc2ccccc21.
What is the InChIKey of 4-chloro-N-[[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide?
The InChIKey is LHFKKAIJJJBNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClN3O2/c1-19-8-7-9-20(2)26(19)33-17-6-5-16-31-24-11-4-3-10-23(24)30-25(31)18-29-27(32)21-12-14-22(28)15-13-21/h3-4,7-15H,5-6,16-18H2,1-2H3,(H,29,32).
What are the key properties of 4-chloro-N-[[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide?
4-chloro-N-[[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide has a molecular weight of 461.99 g/mol, XLogP of 6.10, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide is sourced from PubChem (CID 17009086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).