2-(4-methoxyphenyl)-N-[1-(1-octadecylbenzimidazol-2-yl)ethyl]acetamide

C36H55N3O2 — CID 16972683

IUPAC2-(4-methoxyphenyl)-N-[1-(1-octadecylbenzimidazol-2-yl)ethyl]acetamide
SMILESCCCCCCCCCCCCCCCCCCn1c(C(C)NC(=O)Cc2ccc(OC)cc2)nc2ccccc21
InChIInChI=1S/C36H55N3O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-28-39-34-23-20-19-22-33(34)38-36(39)30(2)37-35(40)29-31-24-26-32(41-3)27-25-31/h19-20,22-27,30H,4-18,21,28-29H2,1-3H3,(H,37,40)
InChIKeyOJRVGFGYJYGJRC-UHFFFAOYSA-N
MW561.86 g/mol
LogP9.73
Rot. Bonds22

About 2-(4-methoxyphenyl)-N-[1-(1-octadecylbenzimidazol-2-yl)ethyl]acetamide

2-(4-methoxyphenyl)-N-[1-(1-octadecylbenzimidazol-2-yl)ethyl]acetamide (PubChem CID 16972683) has the molecular formula C36H55N3O2 and a molecular weight of 561.86 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[1-(1-octadecylbenzimidazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[1-(1-octadecylbenzimidazol-2-yl)ethyl]acetamide
PubChem CID16972683
Molecular FormulaC36H55N3O2
Molecular Weight561.86 g/mol
Exact Mass561.43
IUPAC Name2-(4-methoxyphenyl)-N-[1-(1-octadecylbenzimidazol-2-yl)ethyl]acetamide
SMILESCCCCCCCCCCCCCCCCCCn1c(C(C)NC(=O)Cc2ccc(OC)cc2)nc2ccccc21
InChIInChI=1S/C36H55N3O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-28-39-34-23-20-19-22-33(34)38-36(39)30(2)37-35(40)29-31-24-26-32(41-3)27-25-31/h19-20,22-27,30H,4-18,21,28-29H2,1-3H3,(H,37,40)
InChIKeyOJRVGFGYJYGJRC-UHFFFAOYSA-N
XLogP9.73
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.86
LogP ≤ 59.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(1-butylbenzimidazol-2-yl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 16972671
2-(4-methoxyphenyl)-N-[1-(1-propylbenzimidazol-2-yl)ethyl]acetamide
CID 16972665
N-[1-(1-hexylbenzimidazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide
CID 16971563
N-[1-(1-octylbenzimidazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide
CID 16971565
N-[1-(1-heptylbenzimidazol-2-yl)ethyl]-4-methoxybenzamide
CID 17009628
N-[1-(1-undecylbenzimidazol-2-yl)ethyl]propanamide
CID 16968572
2-(4-chlorophenyl)-N-[1-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide
CID 16973111
N-[(1S)-1-(1-pentylbenzimidazol-2-yl)ethyl]butanamide
CID 7023923
N-[1-(1-hexylbenzimidazol-2-yl)ethyl]-3-phenylpropanamide
CID 16970435
N-[1-(1-decylbenzimidazol-2-yl)ethyl]-3-methoxybenzamide
CID 17010101
N-[1-(1-heptylbenzimidazol-2-yl)ethyl]-3-methoxybenzamide
CID 17010098
2-(4-chlorophenoxy)-N-[1-(1-hexadecylbenzimidazol-2-yl)ethyl]acetamide
CID 16971885

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[1-(1-octadecylbenzimidazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[1-(1-octadecylbenzimidazol-2-yl)ethyl]acetamide (CID 16972683) is 2-(4-methoxyphenyl)-N-[1-(1-octadecylbenzimidazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[1-(1-octadecylbenzimidazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[1-(1-octadecylbenzimidazol-2-yl)ethyl]acetamide is CCCCCCCCCCCCCCCCCCn1c(C(C)NC(=O)Cc2ccc(OC)cc2)nc2ccccc21.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[1-(1-octadecylbenzimidazol-2-yl)ethyl]acetamide?
The InChIKey is OJRVGFGYJYGJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H55N3O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-28-39-34-23-20-19-22-33(34)38-36(39)30(2)37-35(40)29-31-24-26-32(41-3)27-25-31/h19-20,22-27,30H,4-18,21,28-29H2,1-3H3,(H,37,40).
What are the key properties of 2-(4-methoxyphenyl)-N-[1-(1-octadecylbenzimidazol-2-yl)ethyl]acetamide?
2-(4-methoxyphenyl)-N-[1-(1-octadecylbenzimidazol-2-yl)ethyl]acetamide has a molecular weight of 561.86 g/mol, XLogP of 9.73, 22 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[1-(1-octadecylbenzimidazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 16972683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).