N-[3-(1H-benzimidazol-2-yl)propyl]-4-fluorobenzamide

C17H16FN3O — CID 3429810

IUPACN-[3-(1H-benzimidazol-2-yl)propyl]-4-fluorobenzamide
SMILESO=C(NCCCc1nc2ccccc2[nH]1)c1ccc(F)cc1
InChIInChI=1S/C17H16FN3O/c18-13-9-7-12(8-10-13)17(22)19-11-3-6-16-20-14-4-1-2-5-15(14)21-16/h1-2,4-5,7-10H,3,6,11H2,(H,19,22)(H,20,21)
InChIKeyLQCARIAHDJHVIV-UHFFFAOYSA-N
MW297.33 g/mol
LogP3.06
Rot. Bonds5

About N-[3-(1H-benzimidazol-2-yl)propyl]-4-fluorobenzamide

N-[3-(1H-benzimidazol-2-yl)propyl]-4-fluorobenzamide (PubChem CID 3429810) has the molecular formula C17H16FN3O and a molecular weight of 297.33 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)propyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)propyl]-4-fluorobenzamide
PubChem CID3429810
Molecular FormulaC17H16FN3O
Molecular Weight297.33 g/mol
Exact Mass297.13
IUPAC NameN-[3-(1H-benzimidazol-2-yl)propyl]-4-fluorobenzamide
SMILESO=C(NCCCc1nc2ccccc2[nH]1)c1ccc(F)cc1
InChIInChI=1S/C17H16FN3O/c18-13-9-7-12(8-10-13)17(22)19-11-3-6-16-20-14-4-1-2-5-15(14)21-16/h1-2,4-5,7-10H,3,6,11H2,(H,19,22)(H,20,21)
InChIKeyLQCARIAHDJHVIV-UHFFFAOYSA-N
XLogP3.06
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(1H-benzimidazol-2-yl)propyl]-4-fluorobenzamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-4-fluorobenzamide (CID 3429810) is N-[3-(1H-benzimidazol-2-yl)propyl]-4-fluorobenzamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)propyl]-4-fluorobenzamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)propyl]-4-fluorobenzamide is O=C(NCCCc1nc2ccccc2[nH]1)c1ccc(F)cc1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)propyl]-4-fluorobenzamide?
The InChIKey is LQCARIAHDJHVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O/c18-13-9-7-12(8-10-13)17(22)19-11-3-6-16-20-14-4-1-2-5-15(14)21-16/h1-2,4-5,7-10H,3,6,11H2,(H,19,22)(H,20,21).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)propyl]-4-fluorobenzamide?
N-[3-(1H-benzimidazol-2-yl)propyl]-4-fluorobenzamide has a molecular weight of 297.33 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)propyl]-4-fluorobenzamide is sourced from PubChem (CID 3429810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).