N-[[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]-2-(4-phenylphenyl)acetamide

C30H26ClN3O2 — CID 16971451

IUPACN-[[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]-2-(4-phenylphenyl)acetamide
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)NCc1nc2ccccc2n1CCOc1ccccc1Cl
InChIInChI=1S/C30H26ClN3O2/c31-25-10-4-7-13-28(25)36-19-18-34-27-12-6-5-11-26(27)33-29(34)21-32-30(35)20-22-14-16-24(17-15-22)23-8-2-1-3-9-23/h1-17H,18-21H2,(H,32,35)
InChIKeyAYFBWNDEIGNPEL-UHFFFAOYSA-N
MW496.01 g/mol
LogP6.29
Rot. Bonds9

About N-[[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]-2-(4-phenylphenyl)acetamide

N-[[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]-2-(4-phenylphenyl)acetamide (PubChem CID 16971451) has the molecular formula C30H26ClN3O2 and a molecular weight of 496.01 g/mol. Its IUPAC name is N-[[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]-2-(4-phenylphenyl)acetamide.

Molecular Properties

Compound NameN-[[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]-2-(4-phenylphenyl)acetamide
PubChem CID16971451
Molecular FormulaC30H26ClN3O2
Molecular Weight496.01 g/mol
Exact Mass495.17
IUPAC NameN-[[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]-2-(4-phenylphenyl)acetamide
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)NCc1nc2ccccc2n1CCOc1ccccc1Cl
InChIInChI=1S/C30H26ClN3O2/c31-25-10-4-7-13-28(25)36-19-18-34-27-12-6-5-11-26(27)33-29(34)21-32-30(35)20-22-14-16-24(17-15-22)23-8-2-1-3-9-23/h1-17H,18-21H2,(H,32,35)
InChIKeyAYFBWNDEIGNPEL-UHFFFAOYSA-N
XLogP6.29
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.01
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide
CID 17006243
N-[[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-(4-phenylphenyl)acetamide
CID 16971461
2-(4-phenylphenyl)-N-[(1-propylbenzimidazol-2-yl)methyl]acetamide
CID 16971391
N-[5-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-(4-chlorophenyl)acetamide
CID 16993865
4-bromo-N-[[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17009200
2-(4-phenylphenyl)-N-[5-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide
CID 16994346
N-[2-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 16979775
N-[[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide
CID 16965641
N-[2-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
CID 16978497
4-bromo-N-[[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]methyl]benzamide
CID 17009226
N-[[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]-2-methylbenzamide
CID 17006888
2-(4-phenylphenyl)-N-[3-[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide
CID 16985912

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]-2-(4-phenylphenyl)acetamide?
The IUPAC name of N-[[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]-2-(4-phenylphenyl)acetamide (CID 16971451) is N-[[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]-2-(4-phenylphenyl)acetamide.
What is the SMILES notation for N-[[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]-2-(4-phenylphenyl)acetamide?
The canonical SMILES for N-[[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]-2-(4-phenylphenyl)acetamide is O=C(Cc1ccc(-c2ccccc2)cc1)NCc1nc2ccccc2n1CCOc1ccccc1Cl.
What is the InChIKey of N-[[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]-2-(4-phenylphenyl)acetamide?
The InChIKey is AYFBWNDEIGNPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26ClN3O2/c31-25-10-4-7-13-28(25)36-19-18-34-27-12-6-5-11-26(27)33-29(34)21-32-30(35)20-22-14-16-24(17-15-22)23-8-2-1-3-9-23/h1-17H,18-21H2,(H,32,35).
What are the key properties of N-[[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]-2-(4-phenylphenyl)acetamide?
N-[[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]-2-(4-phenylphenyl)acetamide has a molecular weight of 496.01 g/mol, XLogP of 6.29, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]-2-(4-phenylphenyl)acetamide is sourced from PubChem (CID 16971451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).