1-(4-fluorophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-5-propan-2-ylpyrazole-4-carboxamide

C20H18FN5O2 — CID 31887523

About 1-(4-fluorophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-5-propan-2-ylpyrazole-4-carboxamide

1-(4-fluorophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-5-propan-2-ylpyrazole-4-carboxamide (PubChem CID 31887523) has the molecular formula C20H18FN5O2 and a molecular weight of 379.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-5-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 1-(4-fluorophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-5-propan-2-ylpyrazole-4-carboxamide
• PubChem CID: 31887523
• Molecular Formula: C20H18FN5O2
• Molecular Weight: 379.40 g/mol
• Exact Mass: 379.14
• IUPAC Name: 1-(4-fluorophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-5-propan-2-ylpyrazole-4-carboxamide
• SMILES: CC(C)c1c(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cnn1-c1ccc(F)cc1
• InChI: InChI=1S/C20H18FN5O2/c1-11(2)18-15(10-22-26(18)14-6-3-12(21)4-7-14)19(27)23-13-5-8-16-17(9-13)25-20(28)24-16/h3-11H,1-2H3,(H,23,27)(H2,24,25,28)
• InChIKey: VJJZSVLCLZDSSK-UHFFFAOYSA-N
• XLogP: 3.56
• TPSA: 95.57 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.40
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-5-propan-2-ylpyrazole-4-carboxamide?

The IUPAC name of 1-(4-fluorophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-5-propan-2-ylpyrazole-4-carboxamide (CID 31887523) is 1-(4-fluorophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-5-propan-2-ylpyrazole-4-carboxamide.

What is the SMILES notation for 1-(4-fluorophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-5-propan-2-ylpyrazole-4-carboxamide?

The canonical SMILES for 1-(4-fluorophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-5-propan-2-ylpyrazole-4-carboxamide is CC(C)c1c(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cnn1-c1ccc(F)cc1.

What is the InChIKey of 1-(4-fluorophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-5-propan-2-ylpyrazole-4-carboxamide?

The InChIKey is VJJZSVLCLZDSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O2/c1-11(2)18-15(10-22-26(18)14-6-3-12(21)4-7-14)19(27)23-13-5-8-16-17(9-13)25-20(28)24-16/h3-11H,1-2H3,(H,23,27)(H2,24,25,28).

What are the key properties of 1-(4-fluorophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-5-propan-2-ylpyrazole-4-carboxamide?

1-(4-fluorophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-5-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 379.40 g/mol, XLogP of 3.56, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-fluorophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-5-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 31887523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).