2-(4-fluorophenyl)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]acetamide

C18H18FN3O2 — CID 110419711

IUPAC2-(4-fluorophenyl)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)NCCCn1c(=O)[nH]c2ccccc21
InChIInChI=1S/C18H18FN3O2/c19-14-8-6-13(7-9-14)12-17(23)20-10-3-11-22-16-5-2-1-4-15(16)21-18(22)24/h1-2,4-9H,3,10-12H2,(H,20,23)(H,21,24)
InChIKeyBPRSIPHEMIEIHM-UHFFFAOYSA-N
MW327.36 g/mol
LogP2.22
Rot. Bonds6

About 2-(4-fluorophenyl)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]acetamide

2-(4-fluorophenyl)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]acetamide (PubChem CID 110419711) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]acetamide
PubChem CID110419711
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Name2-(4-fluorophenyl)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)NCCCn1c(=O)[nH]c2ccccc21
InChIInChI=1S/C18H18FN3O2/c19-14-8-6-13(7-9-14)12-17(23)20-10-3-11-22-16-5-2-1-4-15(16)21-18(22)24/h1-2,4-9H,3,10-12H2,(H,20,23)(H,21,24)
InChIKeyBPRSIPHEMIEIHM-UHFFFAOYSA-N
XLogP2.22
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.22
H-Bond Donors ≤ 52
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 2-(4-fluorophenyl)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]acetamide (CID 110419711) is 2-(4-fluorophenyl)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]acetamide is O=C(Cc1ccc(F)cc1)NCCCn1c(=O)[nH]c2ccccc21.
What is the InChIKey of 2-(4-fluorophenyl)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]acetamide?
The InChIKey is BPRSIPHEMIEIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c19-14-8-6-13(7-9-14)12-17(23)20-10-3-11-22-16-5-2-1-4-15(16)21-18(22)24/h1-2,4-9H,3,10-12H2,(H,20,23)(H,21,24).
What are the key properties of 2-(4-fluorophenyl)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]acetamide?
2-(4-fluorophenyl)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]acetamide has a molecular weight of 327.36 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]acetamide is sourced from PubChem (CID 110419711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).