N-[3-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]propyl]acetamide

C19H20FN3O — CID 4753644

IUPACN-[3-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]propyl]acetamide
SMILESCC(=O)NCCCc1nc2ccccc2n1Cc1ccccc1F
InChIInChI=1S/C19H20FN3O/c1-14(24)21-12-6-11-19-22-17-9-4-5-10-18(17)23(19)13-15-7-2-3-8-16(15)20/h2-5,7-10H,6,11-13H2,1H3,(H,21,24)
InChIKeyTUSOZZHZBQGJTD-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.29
Rot. Bonds6

About N-[3-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]propyl]acetamide

N-[3-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]propyl]acetamide (PubChem CID 4753644) has the molecular formula C19H20FN3O and a molecular weight of 325.39 g/mol. Its IUPAC name is N-[3-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]propyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]propyl]acetamide
PubChem CID4753644
Molecular FormulaC19H20FN3O
Molecular Weight325.39 g/mol
Exact Mass325.16
IUPAC NameN-[3-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]propyl]acetamide
SMILESCC(=O)NCCCc1nc2ccccc2n1Cc1ccccc1F
InChIInChI=1S/C19H20FN3O/c1-14(24)21-12-6-11-19-22-17-9-4-5-10-18(17)23(19)13-15-7-2-3-8-16(15)20/h2-5,7-10H,6,11-13H2,1H3,(H,21,24)
InChIKeyTUSOZZHZBQGJTD-UHFFFAOYSA-N
XLogP3.29
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]propyl]acetamide?
The IUPAC name of N-[3-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]propyl]acetamide (CID 4753644) is N-[3-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]propyl]acetamide.
What is the SMILES notation for N-[3-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]propyl]acetamide?
The canonical SMILES for N-[3-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]propyl]acetamide is CC(=O)NCCCc1nc2ccccc2n1Cc1ccccc1F.
What is the InChIKey of N-[3-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]propyl]acetamide?
The InChIKey is TUSOZZHZBQGJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O/c1-14(24)21-12-6-11-19-22-17-9-4-5-10-18(17)23(19)13-15-7-2-3-8-16(15)20/h2-5,7-10H,6,11-13H2,1H3,(H,21,24).
What are the key properties of N-[3-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]propyl]acetamide?
N-[3-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]propyl]acetamide has a molecular weight of 325.39 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]propyl]acetamide is sourced from PubChem (CID 4753644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).