2-(2-butylbenzimidazol-1-yl)-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide

C26H35N3O2 — CID 5089305

IUPAC2-(2-butylbenzimidazol-1-yl)-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide
SMILESCCCCc1nc2ccccc2n1CC(=O)N(c1c(C)cccc1CC)C(C)COC
InChIInChI=1S/C26H35N3O2/c1-6-8-16-24-27-22-14-9-10-15-23(22)28(24)17-25(30)29(20(4)18-31-5)26-19(3)12-11-13-21(26)7-2/h9-15,20H,6-8,16-18H2,1-5H3
InChIKeyLQDDWDFONUWNGT-UHFFFAOYSA-N
MW421.59 g/mol
LogP5.32
Rot. Bonds10

About 2-(2-butylbenzimidazol-1-yl)-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide

2-(2-butylbenzimidazol-1-yl)-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide (PubChem CID 5089305) has the molecular formula C26H35N3O2 and a molecular weight of 421.59 g/mol. Its IUPAC name is 2-(2-butylbenzimidazol-1-yl)-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-butylbenzimidazol-1-yl)-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide
PubChem CID5089305
Molecular FormulaC26H35N3O2
Molecular Weight421.59 g/mol
Exact Mass421.27
IUPAC Name2-(2-butylbenzimidazol-1-yl)-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide
SMILESCCCCc1nc2ccccc2n1CC(=O)N(c1c(C)cccc1CC)C(C)COC
InChIInChI=1S/C26H35N3O2/c1-6-8-16-24-27-22-14-9-10-15-23(22)28(24)17-25(30)29(20(4)18-31-5)26-19(3)12-11-13-21(26)7-2/h9-15,20H,6-8,16-18H2,1-5H3
InChIKeyLQDDWDFONUWNGT-UHFFFAOYSA-N
XLogP5.32
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.59
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[1-[2-[2-ethyl-N-(1-methoxypropan-2-yl)-6-methylanilino]-2-oxoethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 18888822
N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)-2-[2-(2-phenylethenyl)benzimidazol-1-yl]acetamide
CID 3282513
N-(2-ethyl-6-methylphenyl)-2-[2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazol-1-yl]-N-(1-methoxypropan-2-yl)acetamide
CID 18811211
N-(2-ethyl-6-methylphenyl)-N-[(2S)-1-methoxypropan-2-yl]-2-[2-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzimidazol-1-yl]acetamide
CID 51681731
2-[2-[1-(3,5-dimethylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide
CID 18811115
N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)-2-[2-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide
CID 4754524
N-(2-ethyl-6-methylphenyl)-2-[2-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-(1-methoxypropan-2-yl)acetamide
CID 43842080
2-(2-pentylbenzimidazol-1-yl)-N-phenyl-N-propan-2-ylacetamide
CID 3279039
N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide
CID 2904617
2-[2-[(2-methylphenyl)methyl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 16996200
N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-2-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]acetamide
CID 4610410
N-[2-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide
CID 16974938

Frequently Asked Questions

What is the IUPAC name of 2-(2-butylbenzimidazol-1-yl)-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide?
The IUPAC name of 2-(2-butylbenzimidazol-1-yl)-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide (CID 5089305) is 2-(2-butylbenzimidazol-1-yl)-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-(2-butylbenzimidazol-1-yl)-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide?
The canonical SMILES for 2-(2-butylbenzimidazol-1-yl)-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide is CCCCc1nc2ccccc2n1CC(=O)N(c1c(C)cccc1CC)C(C)COC.
What is the InChIKey of 2-(2-butylbenzimidazol-1-yl)-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide?
The InChIKey is LQDDWDFONUWNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O2/c1-6-8-16-24-27-22-14-9-10-15-23(22)28(24)17-25(30)29(20(4)18-31-5)26-19(3)12-11-13-21(26)7-2/h9-15,20H,6-8,16-18H2,1-5H3.
What are the key properties of 2-(2-butylbenzimidazol-1-yl)-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide?
2-(2-butylbenzimidazol-1-yl)-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide has a molecular weight of 421.59 g/mol, XLogP of 5.32, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butylbenzimidazol-1-yl)-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 5089305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).