3-(2-fluorophenyl)-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)propanamide

C17H16FN3O2 — CID 110721787

IUPAC3-(2-fluorophenyl)-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)propanamide
SMILESCn1c(=O)[nH]c2cc(NC(=O)CCc3ccccc3F)ccc21
InChIInChI=1S/C17H16FN3O2/c1-21-15-8-7-12(10-14(15)20-17(21)23)19-16(22)9-6-11-4-2-3-5-13(11)18/h2-5,7-8,10H,6,9H2,1H3,(H,19,22)(H,20,23)
InChIKeyVGNYIKILTWHBPO-UHFFFAOYSA-N
MW313.33 g/mol
LogP2.58
Rot. Bonds4

About 3-(2-fluorophenyl)-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)propanamide

3-(2-fluorophenyl)-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)propanamide (PubChem CID 110721787) has the molecular formula C17H16FN3O2 and a molecular weight of 313.33 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)propanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)propanamide
PubChem CID110721787
Molecular FormulaC17H16FN3O2
Molecular Weight313.33 g/mol
Exact Mass313.12
IUPAC Name3-(2-fluorophenyl)-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)propanamide
SMILESCn1c(=O)[nH]c2cc(NC(=O)CCc3ccccc3F)ccc21
InChIInChI=1S/C17H16FN3O2/c1-21-15-8-7-12(10-14(15)20-17(21)23)19-16(22)9-6-11-4-2-3-5-13(11)18/h2-5,7-8,10H,6,9H2,1H3,(H,19,22)(H,20,23)
InChIKeyVGNYIKILTWHBPO-UHFFFAOYSA-N
XLogP2.58
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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3-(2-methylphenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)propanamide?
The IUPAC name of 3-(2-fluorophenyl)-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)propanamide (CID 110721787) is 3-(2-fluorophenyl)-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)propanamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)propanamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)propanamide is Cn1c(=O)[nH]c2cc(NC(=O)CCc3ccccc3F)ccc21.
What is the InChIKey of 3-(2-fluorophenyl)-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)propanamide?
The InChIKey is VGNYIKILTWHBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2/c1-21-15-8-7-12(10-14(15)20-17(21)23)19-16(22)9-6-11-4-2-3-5-13(11)18/h2-5,7-8,10H,6,9H2,1H3,(H,19,22)(H,20,23).
What are the key properties of 3-(2-fluorophenyl)-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)propanamide?
3-(2-fluorophenyl)-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)propanamide has a molecular weight of 313.33 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)propanamide is sourced from PubChem (CID 110721787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).