N-[2-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide

C33H33N3O3 — CID 16979975

IUPACN-[2-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide
SMILESCOc1ccc(OCCCn2c(CCNC(=O)Cc3ccc(-c4ccccc4)cc3)nc3ccccc32)cc1
InChIInChI=1S/C33H33N3O3/c1-38-28-16-18-29(19-17-28)39-23-7-22-36-31-11-6-5-10-30(31)35-32(36)20-21-34-33(37)24-25-12-14-27(15-13-25)26-8-3-2-4-9-26/h2-6,8-19H,7,20-24H2,1H3,(H,34,37)
InChIKeyXKUGTEAEIKGOAT-UHFFFAOYSA-N
MW519.65 g/mol
LogP6.08
Rot. Bonds12

About N-[2-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide

N-[2-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide (PubChem CID 16979975) has the molecular formula C33H33N3O3 and a molecular weight of 519.65 g/mol. Its IUPAC name is N-[2-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide
PubChem CID16979975
Molecular FormulaC33H33N3O3
Molecular Weight519.65 g/mol
Exact Mass519.25
IUPAC NameN-[2-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide
SMILESCOc1ccc(OCCCn2c(CCNC(=O)Cc3ccc(-c4ccccc4)cc3)nc3ccccc32)cc1
InChIInChI=1S/C33H33N3O3/c1-38-28-16-18-29(19-17-28)39-23-7-22-36-31-11-6-5-10-30(31)35-32(36)20-21-34-33(37)24-25-12-14-27(15-13-25)26-8-3-2-4-9-26/h2-6,8-19H,7,20-24H2,1H3,(H,34,37)
InChIKeyXKUGTEAEIKGOAT-UHFFFAOYSA-N
XLogP6.08
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.65
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[1-[4-(3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide
CID 16979996
N-[2-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide
CID 16979947
2-(4-methoxyphenyl)-N-[5-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]acetamide
CID 16994060
N-[2-[1-[3-(4-chloro-3-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide
CID 16979968
2-(4-methoxyphenyl)-N-[5-[1-(2-phenoxyethyl)benzimidazol-2-yl]pentyl]acetamide
CID 16994015
2-(4-methoxyphenyl)-N-[2-[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide
CID 16979669
N-[2-(1-nonylbenzimidazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide
CID 16979890
N-[2-(1-dodecylbenzimidazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide
CID 16979893
2-(4-methoxyphenyl)-N-[2-[1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide
CID 16979621
2-(4-chlorophenyl)-N-[2-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide
CID 16979490
N-[3-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]-2-(4-methoxyphenyl)acetamide
CID 16985596
N-[5-[1-[3-(3,4-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-(4-phenylphenyl)acetamide
CID 16994385

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide?
The IUPAC name of N-[2-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide (CID 16979975) is N-[2-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide.
What is the SMILES notation for N-[2-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide?
The canonical SMILES for N-[2-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide is COc1ccc(OCCCn2c(CCNC(=O)Cc3ccc(-c4ccccc4)cc3)nc3ccccc32)cc1.
What is the InChIKey of N-[2-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide?
The InChIKey is XKUGTEAEIKGOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33N3O3/c1-38-28-16-18-29(19-17-28)39-23-7-22-36-31-11-6-5-10-30(31)35-32(36)20-21-34-33(37)24-25-12-14-27(15-13-25)26-8-3-2-4-9-26/h2-6,8-19H,7,20-24H2,1H3,(H,34,37).
What are the key properties of N-[2-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide?
N-[2-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide has a molecular weight of 519.65 g/mol, XLogP of 6.08, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide is sourced from PubChem (CID 16979975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).