2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-(furan-2-ylmethyl)acetamide

C19H22N4O3 — CID 17030952

IUPAC2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-(furan-2-ylmethyl)acetamide
SMILESCC(=O)NCCCc1nc2ccccc2n1CC(=O)NCc1ccco1
InChIInChI=1S/C19H22N4O3/c1-14(24)20-10-4-9-18-22-16-7-2-3-8-17(16)23(18)13-19(25)21-12-15-6-5-11-26-15/h2-3,5-8,11H,4,9-10,12-13H2,1H3,(H,20,24)(H,21,25)
InChIKeyAKDZZYOQPBPIAK-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.01
Rot. Bonds8

About 2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-(furan-2-ylmethyl)acetamide

2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 17030952) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-(furan-2-ylmethyl)acetamide
PubChem CID17030952
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-(furan-2-ylmethyl)acetamide
SMILESCC(=O)NCCCc1nc2ccccc2n1CC(=O)NCc1ccco1
InChIInChI=1S/C19H22N4O3/c1-14(24)20-10-4-9-18-22-16-7-2-3-8-17(16)23(18)13-19(25)21-12-15-6-5-11-26-15/h2-3,5-8,11H,4,9-10,12-13H2,1H3,(H,20,24)(H,21,25)
InChIKeyAKDZZYOQPBPIAK-UHFFFAOYSA-N
XLogP2.01
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-benzylacetamide
CID 17030984
N-[[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide
CID 17029059
N-(furan-2-ylmethyl)-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 34317292
2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-tert-butylacetamide
CID 17030947
N-[[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17029304
N-[[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide
CID 17029255
2-[2-(2-acetamidoethyl)benzimidazol-1-yl]-N-butylacetamide
CID 17030211
N-[3-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]propyl]acetamide
CID 16980523
N-[3-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzimidazol-2-yl]propyl]furan-2-carboxamide
CID 17031245
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 4234057
2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 17030975
propan-2-yl 2-[2-(3-acetamidopropyl)benzimidazol-1-yl]acetate
CID 16980658

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-(furan-2-ylmethyl)acetamide (CID 17030952) is 2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-(furan-2-ylmethyl)acetamide is CC(=O)NCCCc1nc2ccccc2n1CC(=O)NCc1ccco1.
What is the InChIKey of 2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is AKDZZYOQPBPIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-14(24)20-10-4-9-18-22-16-7-2-3-8-17(16)23(18)13-19(25)21-12-15-6-5-11-26-15/h2-3,5-8,11H,4,9-10,12-13H2,1H3,(H,20,24)(H,21,25).
What are the key properties of 2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-(furan-2-ylmethyl)acetamide?
2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 354.41 g/mol, XLogP of 2.01, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 17030952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).