2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide

C18H15FN4O2 — CID 31887530

IUPAC2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
SMILESCc1[nH]c2ccc(F)cc2c1CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C18H15FN4O2/c1-9-12(13-6-10(19)2-4-14(13)20-9)8-17(24)21-11-3-5-15-16(7-11)23-18(25)22-15/h2-7,20H,8H2,1H3,(H,21,24)(H2,22,23,25)
InChIKeyQHYQEAKUTGTCQV-UHFFFAOYSA-N
MW338.34 g/mol
LogP2.97
Rot. Bonds3

About 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide

2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide (PubChem CID 31887530) has the molecular formula C18H15FN4O2 and a molecular weight of 338.34 g/mol. Its IUPAC name is 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
PubChem CID31887530
Molecular FormulaC18H15FN4O2
Molecular Weight338.34 g/mol
Exact Mass338.12
IUPAC Name2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
SMILESCc1[nH]c2ccc(F)cc2c1CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C18H15FN4O2/c1-9-12(13-6-10(19)2-4-14(13)20-9)8-17(24)21-11-3-5-15-16(7-11)23-18(25)22-15/h2-7,20H,8H2,1H3,(H,21,24)(H2,22,23,25)
InChIKeyQHYQEAKUTGTCQV-UHFFFAOYSA-N
XLogP2.97
TPSA93.54 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 52.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
The IUPAC name of 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide (CID 31887530) is 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide.
What is the SMILES notation for 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
The canonical SMILES for 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide is Cc1[nH]c2ccc(F)cc2c1CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
The InChIKey is QHYQEAKUTGTCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O2/c1-9-12(13-6-10(19)2-4-14(13)20-9)8-17(24)21-11-3-5-15-16(7-11)23-18(25)22-15/h2-7,20H,8H2,1H3,(H,21,24)(H2,22,23,25).
What are the key properties of 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide has a molecular weight of 338.34 g/mol, XLogP of 2.97, 3 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide is sourced from PubChem (CID 31887530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).