2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-(2,3-dimethylphenyl)acetamide

C22H26N4O2 — CID 17030975

IUPAC2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-(2,3-dimethylphenyl)acetamide
SMILESCC(=O)NCCCc1nc2ccccc2n1CC(=O)Nc1cccc(C)c1C
InChIInChI=1S/C22H26N4O2/c1-15-8-6-10-18(16(15)2)25-22(28)14-26-20-11-5-4-9-19(20)24-21(26)12-7-13-23-17(3)27/h4-6,8-11H,7,12-14H2,1-3H3,(H,23,27)(H,25,28)
InChIKeyJIDXOZDURXYKRT-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.36
Rot. Bonds7

About 2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-(2,3-dimethylphenyl)acetamide

2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-(2,3-dimethylphenyl)acetamide (PubChem CID 17030975) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-(2,3-dimethylphenyl)acetamide
PubChem CID17030975
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-(2,3-dimethylphenyl)acetamide
SMILESCC(=O)NCCCc1nc2ccccc2n1CC(=O)Nc1cccc(C)c1C
InChIInChI=1S/C22H26N4O2/c1-15-8-6-10-18(16(15)2)25-22(28)14-26-20-11-5-4-9-19(20)24-21(26)12-7-13-23-17(3)27/h4-6,8-11H,7,12-14H2,1-3H3,(H,23,27)(H,25,28)
InChIKeyJIDXOZDURXYKRT-UHFFFAOYSA-N
XLogP3.36
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.36
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-methyl-N-[3-[1-[2-(2-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide
CID 17031446
N-[2-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
CID 17030488
2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-tert-butylacetamide
CID 17030947
2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-benzylacetamide
CID 17030984
N-[3-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]propyl]acetamide
CID 16980523
N-[3-[1-[3-(2,3-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide
CID 16980583
N-[3-[1-[2-(2,5-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]butanamide
CID 17031125
2-[2-(2-acetamidoethyl)benzimidazol-1-yl]-N-butylacetamide
CID 17030211
2-methyl-N-[3-[1-[2-(3-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide
CID 17031451
2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 17030952
propan-2-yl 2-[2-(3-acetamidopropyl)benzimidazol-1-yl]acetate
CID 16980658
N-[3-[1-[2-(3,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methylbenzamide
CID 17031470

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-(2,3-dimethylphenyl)acetamide?
The IUPAC name of 2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-(2,3-dimethylphenyl)acetamide (CID 17030975) is 2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-(2,3-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-(2,3-dimethylphenyl)acetamide?
The canonical SMILES for 2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-(2,3-dimethylphenyl)acetamide is CC(=O)NCCCc1nc2ccccc2n1CC(=O)Nc1cccc(C)c1C.
What is the InChIKey of 2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-(2,3-dimethylphenyl)acetamide?
The InChIKey is JIDXOZDURXYKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-15-8-6-10-18(16(15)2)25-22(28)14-26-20-11-5-4-9-19(20)24-21(26)12-7-13-23-17(3)27/h4-6,8-11H,7,12-14H2,1-3H3,(H,23,27)(H,25,28).
What are the key properties of 2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-(2,3-dimethylphenyl)acetamide?
2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-(2,3-dimethylphenyl)acetamide has a molecular weight of 378.48 g/mol, XLogP of 3.36, 7 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-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 17030975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).