N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2-(4-methoxyphenyl)acetamide

C25H33N3O2 — CID 16985517

IUPACN-[3-(1-hexylbenzimidazol-2-yl)propyl]-2-(4-methoxyphenyl)acetamide
SMILESCCCCCCn1c(CCCNC(=O)Cc2ccc(OC)cc2)nc2ccccc21
InChIInChI=1S/C25H33N3O2/c1-3-4-5-8-18-28-23-11-7-6-10-22(23)27-24(28)12-9-17-26-25(29)19-20-13-15-21(30-2)16-14-20/h6-7,10-11,13-16H,3-5,8-9,12,17-19H2,1-2H3,(H,26,29)
InChIKeyWWVLYNCGPTUIJW-UHFFFAOYSA-N
MW407.56 g/mol
LogP4.92
Rot. Bonds12

About N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2-(4-methoxyphenyl)acetamide

N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 16985517) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(1-hexylbenzimidazol-2-yl)propyl]-2-(4-methoxyphenyl)acetamide
PubChem CID16985517
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC NameN-[3-(1-hexylbenzimidazol-2-yl)propyl]-2-(4-methoxyphenyl)acetamide
SMILESCCCCCCn1c(CCCNC(=O)Cc2ccc(OC)cc2)nc2ccccc21
InChIInChI=1S/C25H33N3O2/c1-3-4-5-8-18-28-23-11-7-6-10-22(23)27-24(28)12-9-17-26-25(29)19-20-13-15-21(30-2)16-14-20/h6-7,10-11,13-16H,3-5,8-9,12,17-19H2,1-2H3,(H,26,29)
InChIKeyWWVLYNCGPTUIJW-UHFFFAOYSA-N
XLogP4.92
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 54.92
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

2-(4-methoxyphenyl)-N-[3-(1-nonylbenzimidazol-2-yl)propyl]acetamide
CID 16985520
N-[3-(1-hexadecylbenzimidazol-2-yl)propyl]-2-(4-phenylphenyl)acetamide
CID 16985848
N-[3-(1-heptylbenzimidazol-2-yl)propyl]-2-(4-phenylphenyl)acetamide
CID 16985842
2-phenyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]acetamide
CID 16993334
N-[3-(1-decylbenzimidazol-2-yl)propyl]-2-methoxyacetamide
CID 16981267
N-[5-(1-decylbenzimidazol-2-yl)pentyl]-2-(4-phenylphenyl)acetamide
CID 16994305
N-[3-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]-2-(4-methoxyphenyl)acetamide
CID 16985596
2-(3,4-dimethoxyphenyl)-N-[5-(1-nonylbenzimidazol-2-yl)pentyl]acetamide
CID 16994142
N-[3-(1-butylbenzimidazol-2-yl)propyl]-4-methoxybenzamide
CID 16984092
N-[5-(1-butylbenzimidazol-2-yl)pentyl]-2-phenylacetamide
CID 16993325
2-(4-methoxyphenyl)-N-[3-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]propyl]acetamide
CID 16985611
2-(4-methoxyphenyl)-N-[5-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]acetamide
CID 16994060

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2-(4-methoxyphenyl)acetamide (CID 16985517) is N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2-(4-methoxyphenyl)acetamide is CCCCCCn1c(CCCNC(=O)Cc2ccc(OC)cc2)nc2ccccc21.
What is the InChIKey of N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is WWVLYNCGPTUIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O2/c1-3-4-5-8-18-28-23-11-7-6-10-22(23)27-24(28)12-9-17-26-25(29)19-20-13-15-21(30-2)16-14-20/h6-7,10-11,13-16H,3-5,8-9,12,17-19H2,1-2H3,(H,26,29).
What are the key properties of N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2-(4-methoxyphenyl)acetamide?
N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 407.56 g/mol, XLogP of 4.92, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 16985517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).