2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-benzylacetamide

C21H24N4O2 — CID 17030984

IUPAC2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-benzylacetamide
SMILESCC(=O)NCCCc1nc2ccccc2n1CC(=O)NCc1ccccc1
InChIInChI=1S/C21H24N4O2/c1-16(26)22-13-7-12-20-24-18-10-5-6-11-19(18)25(20)15-21(27)23-14-17-8-3-2-4-9-17/h2-6,8-11H,7,12-15H2,1H3,(H,22,26)(H,23,27)
InChIKeyYTRZUPTYVLVDPH-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.42
Rot. Bonds8

About 2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-benzylacetamide

2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-benzylacetamide (PubChem CID 17030984) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-benzylacetamide.

Molecular Properties

Compound Name2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-benzylacetamide
PubChem CID17030984
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-benzylacetamide
SMILESCC(=O)NCCCc1nc2ccccc2n1CC(=O)NCc1ccccc1
InChIInChI=1S/C21H24N4O2/c1-16(26)22-13-7-12-20-24-18-10-5-6-11-19(18)25(20)15-21(27)23-14-17-8-3-2-4-9-17/h2-6,8-11H,7,12-15H2,1H3,(H,22,26)(H,23,27)
InChIKeyYTRZUPTYVLVDPH-UHFFFAOYSA-N
XLogP2.42
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.42
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

2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 17030952
2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-tert-butylacetamide
CID 17030947
2-[2-(2-acetamidoethyl)benzimidazol-1-yl]-N-butylacetamide
CID 17030211
2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-benzyl-N-methylacetamide
CID 16980647
N-[3-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]propyl]acetamide
CID 16980523
N-[3-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]propyl]-3-phenylpropanamide
CID 16985995
2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 17030975
2-[2-(acetamidomethyl)benzimidazol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 17028897
propan-2-yl 2-[2-(3-acetamidopropyl)benzimidazol-1-yl]acetate
CID 16980658
N-[3-(1-heptylbenzimidazol-2-yl)propyl]acetamide
CID 16980528
N-[(4-methoxyphenyl)methyl]-2-(2-propylbenzimidazol-1-yl)acetamide
CID 17028685
N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]-3-phenylpropanamide
CID 16985994

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-benzylacetamide?
The IUPAC name of 2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-benzylacetamide (CID 17030984) is 2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-benzylacetamide.
What is the SMILES notation for 2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-benzylacetamide?
The canonical SMILES for 2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-benzylacetamide is CC(=O)NCCCc1nc2ccccc2n1CC(=O)NCc1ccccc1.
What is the InChIKey of 2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-benzylacetamide?
The InChIKey is YTRZUPTYVLVDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-16(26)22-13-7-12-20-24-18-10-5-6-11-19(18)25(20)15-21(27)23-14-17-8-3-2-4-9-17/h2-6,8-11H,7,12-15H2,1H3,(H,22,26)(H,23,27).
What are the key properties of 2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-benzylacetamide?
2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-benzylacetamide has a molecular weight of 364.45 g/mol, XLogP of 2.42, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-benzylacetamide is sourced from PubChem (CID 17030984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).