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

C34H35N3O2 — CID 16971461

IUPACN-[[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-(4-phenylphenyl)acetamide
SMILESCC(C)(C)c1ccc(OCCn2c(CNC(=O)Cc3ccc(-c4ccccc4)cc3)nc3ccccc32)cc1
InChIInChI=1S/C34H35N3O2/c1-34(2,3)28-17-19-29(20-18-28)39-22-21-37-31-12-8-7-11-30(31)36-32(37)24-35-33(38)23-25-13-15-27(16-14-25)26-9-5-4-6-10-26/h4-20H,21-24H2,1-3H3,(H,35,38)
InChIKeyIYYYJCGTNXAUCV-UHFFFAOYSA-N
MW517.67 g/mol
LogP6.94
Rot. Bonds9

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

N-[[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-(4-phenylphenyl)acetamide (PubChem CID 16971461) has the molecular formula C34H35N3O2 and a molecular weight of 517.67 g/mol. Its IUPAC name is N-[[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-(4-phenylphenyl)acetamide.

Molecular Properties

Compound NameN-[[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-(4-phenylphenyl)acetamide
PubChem CID16971461
Molecular FormulaC34H35N3O2
Molecular Weight517.67 g/mol
Exact Mass517.27
IUPAC NameN-[[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-(4-phenylphenyl)acetamide
SMILESCC(C)(C)c1ccc(OCCn2c(CNC(=O)Cc3ccc(-c4ccccc4)cc3)nc3ccccc32)cc1
InChIInChI=1S/C34H35N3O2/c1-34(2,3)28-17-19-29(20-18-28)39-22-21-37-31-12-8-7-11-30(31)36-32(37)24-35-33(38)23-25-13-15-27(16-14-25)26-9-5-4-6-10-26/h4-20H,21-24H2,1-3H3,(H,35,38)
InChIKeyIYYYJCGTNXAUCV-UHFFFAOYSA-N
XLogP6.94
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.67
LogP ≤ 56.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide
CID 16979947
N-[3-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]propyl]-2-(4-phenylphenyl)acetamide
CID 16985901
1-[2-(4-tert-butylphenoxy)ethyl]-2-[(4-phenylphenyl)methyl]benzimidazole
CID 16987415
N-[[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]-2-(4-phenylphenyl)acetamide
CID 16971451
2-(4-phenylphenyl)-N-[(1-propylbenzimidazol-2-yl)methyl]acetamide
CID 16971391
N-[[1-[4-(4-tert-butylphenoxy)butyl]benzimidazol-2-yl]methyl]acetamide
CID 17006002
N-[[1-[4-(4-tert-butylphenoxy)butyl]benzimidazol-2-yl]methyl]-2,2-dimethylpropanamide
CID 16969578
N-[[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]propanamide
CID 17006087
N-[[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide
CID 16968473
N-[2-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide
CID 16979975
N-[3-[1-[2-(4-butan-2-ylphenoxy)ethyl]benzimidazol-2-yl]propyl]-2-(4-phenylphenyl)acetamide
CID 16985900
N-[2-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide
CID 16974448

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-(4-phenylphenyl)acetamide?
The IUPAC name of N-[[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-(4-phenylphenyl)acetamide (CID 16971461) is N-[[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-(4-phenylphenyl)acetamide.
What is the SMILES notation for N-[[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-(4-phenylphenyl)acetamide?
The canonical SMILES for N-[[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-(4-phenylphenyl)acetamide is CC(C)(C)c1ccc(OCCn2c(CNC(=O)Cc3ccc(-c4ccccc4)cc3)nc3ccccc32)cc1.
What is the InChIKey of N-[[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-(4-phenylphenyl)acetamide?
The InChIKey is IYYYJCGTNXAUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35N3O2/c1-34(2,3)28-17-19-29(20-18-28)39-22-21-37-31-12-8-7-11-30(31)36-32(37)24-35-33(38)23-25-13-15-27(16-14-25)26-9-5-4-6-10-26/h4-20H,21-24H2,1-3H3,(H,35,38).
What are the key properties of N-[[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-(4-phenylphenyl)acetamide?
N-[[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-(4-phenylphenyl)acetamide has a molecular weight of 517.67 g/mol, XLogP of 6.94, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-(4-phenylphenyl)acetamide is sourced from PubChem (CID 16971461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).