2-[2-(2-acetamidoethyl)benzimidazol-1-yl]-N-butylacetamide

C17H24N4O2 — CID 17030211

IUPAC2-[2-(2-acetamidoethyl)benzimidazol-1-yl]-N-butylacetamide
SMILESCCCCNC(=O)Cn1c(CCNC(C)=O)nc2ccccc21
InChIInChI=1S/C17H24N4O2/c1-3-4-10-19-17(23)12-21-15-8-6-5-7-14(15)20-16(21)9-11-18-13(2)22/h5-8H,3-4,9-12H2,1-2H3,(H,18,22)(H,19,23)
InChIKeyANMRXIJQOFDOHR-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.63
Rot. Bonds8

About 2-[2-(2-acetamidoethyl)benzimidazol-1-yl]-N-butylacetamide

2-[2-(2-acetamidoethyl)benzimidazol-1-yl]-N-butylacetamide (PubChem CID 17030211) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-[2-(2-acetamidoethyl)benzimidazol-1-yl]-N-butylacetamide.

Molecular Properties

Compound Name2-[2-(2-acetamidoethyl)benzimidazol-1-yl]-N-butylacetamide
PubChem CID17030211
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name2-[2-(2-acetamidoethyl)benzimidazol-1-yl]-N-butylacetamide
SMILESCCCCNC(=O)Cn1c(CCNC(C)=O)nc2ccccc21
InChIInChI=1S/C17H24N4O2/c1-3-4-10-19-17(23)12-21-15-8-6-5-7-14(15)20-16(21)9-11-18-13(2)22/h5-8H,3-4,9-12H2,1-2H3,(H,18,22)(H,19,23)
InChIKeyANMRXIJQOFDOHR-UHFFFAOYSA-N
XLogP1.63
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17030651
N-[2-[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 17030796
2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-benzylacetamide
CID 17030984
N-[3-(1-heptylbenzimidazol-2-yl)propyl]acetamide
CID 16980528
N-[2-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]acetamide
CID 16974140
N-[3-[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methylbenzamide
CID 17031580
2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-tert-butylacetamide
CID 17030947
N-butyl-2-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]acetamide
CID 17033393
N-[3-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]propyl]acetamide
CID 16980523
4-methyl-N-[2-[1-[2-oxo-2-(propylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17030844
N-butyl-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]acetamide
CID 17032573
2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N-butyl-N-methylacetamide
CID 16987945

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-acetamidoethyl)benzimidazol-1-yl]-N-butylacetamide?
The IUPAC name of 2-[2-(2-acetamidoethyl)benzimidazol-1-yl]-N-butylacetamide (CID 17030211) is 2-[2-(2-acetamidoethyl)benzimidazol-1-yl]-N-butylacetamide.
What is the SMILES notation for 2-[2-(2-acetamidoethyl)benzimidazol-1-yl]-N-butylacetamide?
The canonical SMILES for 2-[2-(2-acetamidoethyl)benzimidazol-1-yl]-N-butylacetamide is CCCCNC(=O)Cn1c(CCNC(C)=O)nc2ccccc21.
What is the InChIKey of 2-[2-(2-acetamidoethyl)benzimidazol-1-yl]-N-butylacetamide?
The InChIKey is ANMRXIJQOFDOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-3-4-10-19-17(23)12-21-15-8-6-5-7-14(15)20-16(21)9-11-18-13(2)22/h5-8H,3-4,9-12H2,1-2H3,(H,18,22)(H,19,23).
What are the key properties of 2-[2-(2-acetamidoethyl)benzimidazol-1-yl]-N-butylacetamide?
2-[2-(2-acetamidoethyl)benzimidazol-1-yl]-N-butylacetamide has a molecular weight of 316.40 g/mol, XLogP of 1.63, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-acetamidoethyl)benzimidazol-1-yl]-N-butylacetamide is sourced from PubChem (CID 17030211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).