2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N,N-di(butan-2-yl)acetamide

C24H38N4O2 — CID 16987966

IUPAC2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N,N-di(butan-2-yl)acetamide
SMILESCCC(C)N(C(=O)Cn1c(CCCCCNC(C)=O)nc2ccccc21)C(C)CC
InChIInChI=1S/C24H38N4O2/c1-6-18(3)28(19(4)7-2)24(30)17-27-22-14-11-10-13-21(22)26-23(27)15-9-8-12-16-25-20(5)29/h10-11,13-14,18-19H,6-9,12,15-17H2,1-5H3,(H,25,29)
InChIKeyBMUYDYOJIPXHOD-UHFFFAOYSA-N
MW414.59 g/mol
LogP4.31
Rot. Bonds12

About 2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N,N-di(butan-2-yl)acetamide

2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N,N-di(butan-2-yl)acetamide (PubChem CID 16987966) has the molecular formula C24H38N4O2 and a molecular weight of 414.59 g/mol. Its IUPAC name is 2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N,N-di(butan-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N,N-di(butan-2-yl)acetamide
PubChem CID16987966
Molecular FormulaC24H38N4O2
Molecular Weight414.59 g/mol
Exact Mass414.30
IUPAC Name2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N,N-di(butan-2-yl)acetamide
SMILESCCC(C)N(C(=O)Cn1c(CCCCCNC(C)=O)nc2ccccc21)C(C)CC
InChIInChI=1S/C24H38N4O2/c1-6-18(3)28(19(4)7-2)24(30)17-27-22-14-11-10-13-21(22)26-23(27)15-9-8-12-16-25-20(5)29/h10-11,13-14,18-19H,6-9,12,15-17H2,1-5H3,(H,25,29)
InChIKeyBMUYDYOJIPXHOD-UHFFFAOYSA-N
XLogP4.31
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.59
LogP ≤ 54.31
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-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N,N-dipropylacetamide
CID 16987942
2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N-ethyl-N-phenylacetamide
CID 16987946
N-[5-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-2-methylprop-2-enamide
CID 16992477
2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N-butyl-N-methylacetamide
CID 16987945
N-[3-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methylbenzamide
CID 16984403
N-[3-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-(4-phenylphenyl)acetamide
CID 16985986
N-[3-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-ethylbutanamide
CID 16981079
N,N-di(butan-2-yl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide
CID 16995334
N-[2-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 16976021
N-[5-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-2-fluorobenzamide
CID 16990047
N-[5-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]propanamide
CID 16988106
N,N-di(butan-2-yl)-2-[2-[3-[[2-(2,5-dimethylphenoxy)acetyl]amino]propyl]benzimidazol-1-yl]acetamide
CID 16986691

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N,N-di(butan-2-yl)acetamide?
The IUPAC name of 2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N,N-di(butan-2-yl)acetamide (CID 16987966) is 2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N,N-di(butan-2-yl)acetamide.
What is the SMILES notation for 2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N,N-di(butan-2-yl)acetamide?
The canonical SMILES for 2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N,N-di(butan-2-yl)acetamide is CCC(C)N(C(=O)Cn1c(CCCCCNC(C)=O)nc2ccccc21)C(C)CC.
What is the InChIKey of 2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N,N-di(butan-2-yl)acetamide?
The InChIKey is BMUYDYOJIPXHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4O2/c1-6-18(3)28(19(4)7-2)24(30)17-27-22-14-11-10-13-21(22)26-23(27)15-9-8-12-16-25-20(5)29/h10-11,13-14,18-19H,6-9,12,15-17H2,1-5H3,(H,25,29).
What are the key properties of 2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N,N-di(butan-2-yl)acetamide?
2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N,N-di(butan-2-yl)acetamide has a molecular weight of 414.59 g/mol, XLogP of 4.31, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N,N-di(butan-2-yl)acetamide is sourced from PubChem (CID 16987966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).