2-(4-methoxyphenyl)-N-[5-[1-(2-methylbutyl)benzimidazol-2-yl]pentyl]acetamide

C26H35N3O2 — CID 16993974

IUPAC2-(4-methoxyphenyl)-N-[5-[1-(2-methylbutyl)benzimidazol-2-yl]pentyl]acetamide
SMILESCCC(C)Cn1c(CCCCCNC(=O)Cc2ccc(OC)cc2)nc2ccccc21
InChIInChI=1S/C26H35N3O2/c1-4-20(2)19-29-24-11-8-7-10-23(24)28-25(29)12-6-5-9-17-27-26(30)18-21-13-15-22(31-3)16-14-21/h7-8,10-11,13-16,20H,4-6,9,12,17-19H2,1-3H3,(H,27,30)
InChIKeyZABMGQHPGDVGAP-UHFFFAOYSA-N
MW421.59 g/mol
LogP5.16
Rot. Bonds12

About 2-(4-methoxyphenyl)-N-[5-[1-(2-methylbutyl)benzimidazol-2-yl]pentyl]acetamide

2-(4-methoxyphenyl)-N-[5-[1-(2-methylbutyl)benzimidazol-2-yl]pentyl]acetamide (PubChem CID 16993974) has the molecular formula C26H35N3O2 and a molecular weight of 421.59 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[5-[1-(2-methylbutyl)benzimidazol-2-yl]pentyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[5-[1-(2-methylbutyl)benzimidazol-2-yl]pentyl]acetamide
PubChem CID16993974
Molecular FormulaC26H35N3O2
Molecular Weight421.59 g/mol
Exact Mass421.27
IUPAC Name2-(4-methoxyphenyl)-N-[5-[1-(2-methylbutyl)benzimidazol-2-yl]pentyl]acetamide
SMILESCCC(C)Cn1c(CCCCCNC(=O)Cc2ccc(OC)cc2)nc2ccccc21
InChIInChI=1S/C26H35N3O2/c1-4-20(2)19-29-24-11-8-7-10-23(24)28-25(29)12-6-5-9-17-27-26(30)18-21-13-15-22(31-3)16-14-21/h7-8,10-11,13-16,20H,4-6,9,12,17-19H2,1-3H3,(H,27,30)
InChIKeyZABMGQHPGDVGAP-UHFFFAOYSA-N
XLogP5.16
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.59
LogP ≤ 55.16
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-[5-(1-prop-2-ynylbenzimidazol-2-yl)pentyl]acetamide
CID 16993972
2-(4-methoxyphenyl)-N-[3-(1-nonylbenzimidazol-2-yl)propyl]acetamide
CID 16985520
N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2-(4-methoxyphenyl)acetamide
CID 16985517
N-[5-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pentyl]-2-(4-phenylphenyl)acetamide
CID 16994327
2-(4-methoxyphenyl)-N-[5-[1-(2-phenoxyethyl)benzimidazol-2-yl]pentyl]acetamide
CID 16994015
N-[5-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-2-(4-methoxyphenyl)acetamide
CID 16994101
N-[3-[1-(2-methylbutyl)benzimidazol-2-yl]propyl]-2-(2-methylphenyl)acetamide
CID 16985028
N-[5-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]pentyl]-2-(4-methoxyphenyl)acetamide
CID 16993993
N-[5-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide
CID 16993390
N-[3-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-(4-methoxyphenyl)acetamide
CID 16985636
2-(4-methoxyphenyl)-N-[5-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]acetamide
CID 16994060
N-[5-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-(4-methoxyphenyl)acetamide
CID 16994029

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[5-[1-(2-methylbutyl)benzimidazol-2-yl]pentyl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[5-[1-(2-methylbutyl)benzimidazol-2-yl]pentyl]acetamide (CID 16993974) is 2-(4-methoxyphenyl)-N-[5-[1-(2-methylbutyl)benzimidazol-2-yl]pentyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[5-[1-(2-methylbutyl)benzimidazol-2-yl]pentyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[5-[1-(2-methylbutyl)benzimidazol-2-yl]pentyl]acetamide is CCC(C)Cn1c(CCCCCNC(=O)Cc2ccc(OC)cc2)nc2ccccc21.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[5-[1-(2-methylbutyl)benzimidazol-2-yl]pentyl]acetamide?
The InChIKey is ZABMGQHPGDVGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O2/c1-4-20(2)19-29-24-11-8-7-10-23(24)28-25(29)12-6-5-9-17-27-26(30)18-21-13-15-22(31-3)16-14-21/h7-8,10-11,13-16,20H,4-6,9,12,17-19H2,1-3H3,(H,27,30).
What are the key properties of 2-(4-methoxyphenyl)-N-[5-[1-(2-methylbutyl)benzimidazol-2-yl]pentyl]acetamide?
2-(4-methoxyphenyl)-N-[5-[1-(2-methylbutyl)benzimidazol-2-yl]pentyl]acetamide has a molecular weight of 421.59 g/mol, XLogP of 5.16, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[5-[1-(2-methylbutyl)benzimidazol-2-yl]pentyl]acetamide is sourced from PubChem (CID 16993974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).