4-chloro-N-[3-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide

C27H28ClN3O2 — CID 16984617

IUPAC4-chloro-N-[3-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide
SMILESCCc1ccc(OCCn2c(CCCNC(=O)c3ccc(Cl)cc3)nc3ccccc32)cc1
InChIInChI=1S/C27H28ClN3O2/c1-2-20-9-15-23(16-10-20)33-19-18-31-25-7-4-3-6-24(25)30-26(31)8-5-17-29-27(32)21-11-13-22(28)14-12-21/h3-4,6-7,9-16H,2,5,8,17-19H2,1H3,(H,29,32)
InChIKeyNSQBWHWFZARCIU-UHFFFAOYSA-N
MW461.99 g/mol
LogP5.69
Rot. Bonds10

About 4-chloro-N-[3-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide

4-chloro-N-[3-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide (PubChem CID 16984617) has the molecular formula C27H28ClN3O2 and a molecular weight of 461.99 g/mol. Its IUPAC name is 4-chloro-N-[3-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide
PubChem CID16984617
Molecular FormulaC27H28ClN3O2
Molecular Weight461.99 g/mol
Exact Mass461.19
IUPAC Name4-chloro-N-[3-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide
SMILESCCc1ccc(OCCn2c(CCCNC(=O)c3ccc(Cl)cc3)nc3ccccc32)cc1
InChIInChI=1S/C27H28ClN3O2/c1-2-20-9-15-23(16-10-20)33-19-18-31-25-7-4-3-6-24(25)30-26(31)8-5-17-29-27(32)21-11-13-22(28)14-12-21/h3-4,6-7,9-16H,2,5,8,17-19H2,1H3,(H,29,32)
InChIKeyNSQBWHWFZARCIU-UHFFFAOYSA-N
XLogP5.69
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.99
LogP ≤ 55.69
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-[3-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]propyl]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-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991498
N-[3-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide
CID 16982245
4-chloro-N-[3-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]propyl]benzamide
CID 16984642
N-[5-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide
CID 16991278
2-(4-chlorophenoxy)-N-[3-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide
CID 16986473
4-chloro-N-[3-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide
CID 16984607
N-[3-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]propyl]propanamide
CID 16980720
N-[5-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide
CID 16991334
2-(4-chlorophenyl)-N-[2-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide
CID 16979490
4-chloro-N-[2-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977241
N-[3-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]propyl]-2-phenoxyacetamide
CID 16986279
4-bromo-N-[2-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977496

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide?
The IUPAC name of 4-chloro-N-[3-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide (CID 16984617) is 4-chloro-N-[3-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide?
The canonical SMILES for 4-chloro-N-[3-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide is CCc1ccc(OCCn2c(CCCNC(=O)c3ccc(Cl)cc3)nc3ccccc32)cc1.
What is the InChIKey of 4-chloro-N-[3-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide?
The InChIKey is NSQBWHWFZARCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClN3O2/c1-2-20-9-15-23(16-10-20)33-19-18-31-25-7-4-3-6-24(25)30-26(31)8-5-17-29-27(32)21-11-13-22(28)14-12-21/h3-4,6-7,9-16H,2,5,8,17-19H2,1H3,(H,29,32).
What are the key properties of 4-chloro-N-[3-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide?
4-chloro-N-[3-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide has a molecular weight of 461.99 g/mol, XLogP of 5.69, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide is sourced from PubChem (CID 16984617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).