N-[1-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide

C24H22ClN3O2 — CID 16967368

IUPACN-[1-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCC(NC(=O)c1ccccc1)c1nc2ccccc2n1CCOc1ccc(Cl)cc1
InChIInChI=1S/C24H22ClN3O2/c1-17(26-24(29)18-7-3-2-4-8-18)23-27-21-9-5-6-10-22(21)28(23)15-16-30-20-13-11-19(25)12-14-20/h2-14,17H,15-16H2,1H3,(H,26,29)
InChIKeyJQJBQWAJTSZNPQ-UHFFFAOYSA-N
MW419.91 g/mol
LogP5.26
Rot. Bonds7

About N-[1-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide

N-[1-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide (PubChem CID 16967368) has the molecular formula C24H22ClN3O2 and a molecular weight of 419.91 g/mol. Its IUPAC name is N-[1-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-[1-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
PubChem CID16967368
Molecular FormulaC24H22ClN3O2
Molecular Weight419.91 g/mol
Exact Mass419.14
IUPAC NameN-[1-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCC(NC(=O)c1ccccc1)c1nc2ccccc2n1CCOc1ccc(Cl)cc1
InChIInChI=1S/C24H22ClN3O2/c1-17(26-24(29)18-7-3-2-4-8-18)23-27-21-9-5-6-10-22(21)28(23)15-16-30-20-13-11-19(25)12-14-20/h2-14,17H,15-16H2,1H3,(H,26,29)
InChIKeyJQJBQWAJTSZNPQ-UHFFFAOYSA-N
XLogP5.26
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.91
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-3-chlorobenzamide
CID 17010475
N-[1-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
CID 16969366
N-[1-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16963792
2-chloro-N-[1-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967682
N-[(1S)-1-(1-benzylbenzimidazol-2-yl)ethyl]-4-chlorobenzamide
CID 7007721
N-[1-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide
CID 16968171
N-[1-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]-3,4,5-trimethoxybenzamide
CID 17009863
4-chloro-N-[1-(1-propylbenzimidazol-2-yl)ethyl]benzamide
CID 17009463
N-[1-[1-[4-(4-tert-butylphenoxy)butyl]benzimidazol-2-yl]ethyl]-3-chlorobenzamide
CID 17010530
3-chloro-N-[1-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 17010498
4-methyl-N-[1-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]benzamide
CID 16967236
N-[1-[1-(4-phenoxybutyl)benzimidazol-2-yl]ethyl]pyridine-4-carboxamide
CID 16965467

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide?
The IUPAC name of N-[1-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide (CID 16967368) is N-[1-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide.
What is the SMILES notation for N-[1-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide?
The canonical SMILES for N-[1-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide is CC(NC(=O)c1ccccc1)c1nc2ccccc2n1CCOc1ccc(Cl)cc1.
What is the InChIKey of N-[1-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide?
The InChIKey is JQJBQWAJTSZNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O2/c1-17(26-24(29)18-7-3-2-4-8-18)23-27-21-9-5-6-10-22(21)28(23)15-16-30-20-13-11-19(25)12-14-20/h2-14,17H,15-16H2,1H3,(H,26,29).
What are the key properties of N-[1-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide?
N-[1-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 419.91 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 16967368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).