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

C25H24ClN3O2 — CID 16967222

IUPACN-[1-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(C)c2nc3ccccc3n2CCOc2ccccc2Cl)cc1
InChIInChI=1S/C25H24ClN3O2/c1-17-11-13-19(14-12-17)25(30)27-18(2)24-28-21-8-4-5-9-22(21)29(24)15-16-31-23-10-6-3-7-20(23)26/h3-14,18H,15-16H2,1-2H3,(H,27,30)
InChIKeyQEBYMUFSCKHIGY-UHFFFAOYSA-N
MW433.94 g/mol
LogP5.57
Rot. Bonds7

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

N-[1-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide (PubChem CID 16967222) has the molecular formula C25H24ClN3O2 and a molecular weight of 433.94 g/mol. Its IUPAC name is N-[1-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[1-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide
PubChem CID16967222
Molecular FormulaC25H24ClN3O2
Molecular Weight433.94 g/mol
Exact Mass433.16
IUPAC NameN-[1-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(C)c2nc3ccccc3n2CCOc2ccccc2Cl)cc1
InChIInChI=1S/C25H24ClN3O2/c1-17-11-13-19(14-12-17)25(30)27-18(2)24-28-21-8-4-5-9-22(21)29(24)15-16-31-23-10-6-3-7-20(23)26/h3-14,18H,15-16H2,1-2H3,(H,27,30)
InChIKeyQEBYMUFSCKHIGY-UHFFFAOYSA-N
XLogP5.57
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.94
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[1-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17010465
4-bromo-N-[1-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009417
4-methyl-N-[1-[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967216
N-[1-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide
CID 16967274
2-chloro-N-[1-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967682
N-[1-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16619685
N-[1-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide
CID 16969212
N-[1-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide
CID 16967268
4-methyl-N-[1-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]benzamide
CID 16967236
4-methyl-N-[1-[1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967273
2-chloro-N-[1-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]benzamide
CID 16967689
N-[1-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]pyridine-2-carboxamide
CID 16966746

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide?
The IUPAC name of N-[1-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide (CID 16967222) is N-[1-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide.
What is the SMILES notation for N-[1-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide?
The canonical SMILES for N-[1-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide is Cc1ccc(C(=O)NC(C)c2nc3ccccc3n2CCOc2ccccc2Cl)cc1.
What is the InChIKey of N-[1-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide?
The InChIKey is QEBYMUFSCKHIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O2/c1-17-11-13-19(14-12-17)25(30)27-18(2)24-28-21-8-4-5-9-22(21)29(24)15-16-31-23-10-6-3-7-20(23)26/h3-14,18H,15-16H2,1-2H3,(H,27,30).
What are the key properties of N-[1-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide?
N-[1-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide has a molecular weight of 433.94 g/mol, XLogP of 5.57, 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-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide is sourced from PubChem (CID 16967222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).