5-fluoro-N-[(1R)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-2-(tetrazol-1-yl)benzamide

C22H24FN7O — CID 124847783

About 5-fluoro-N-[(1R)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-2-(tetrazol-1-yl)benzamide

5-fluoro-N-[(1R)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-2-(tetrazol-1-yl)benzamide (PubChem CID 124847783) has the molecular formula C22H24FN7O and a molecular weight of 421.48 g/mol. Its IUPAC name is 5-fluoro-N-[(1R)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-2-(tetrazol-1-yl)benzamide.

Molecular Properties

• Compound Name: 5-fluoro-N-[(1R)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-2-(tetrazol-1-yl)benzamide
• PubChem CID: 124847783
• Molecular Formula: C22H24FN7O
• Molecular Weight: 421.48 g/mol
• Exact Mass: 421.20
• IUPAC Name: 5-fluoro-N-[(1R)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-2-(tetrazol-1-yl)benzamide
• SMILES: CC(C)[C@@H](NC(=O)c1cc(F)ccc1-n1cnnn1)c1nc2ccccc2n1C(C)C
• InChI: InChI=1S/C22H24FN7O/c1-13(2)20(21-25-17-7-5-6-8-19(17)30(21)14(3)4)26-22(31)16-11-15(23)9-10-18(16)29-12-24-27-28-29/h5-14,20H,1-4H3,(H,26,31)/t20-/m1/s1
• InChIKey: LNLPFUOCOYKBID-HXUWFJFHSA-N
• XLogP: 3.86
• TPSA: 90.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.48
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(1R)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-2-(tetrazol-1-yl)benzamide?

The IUPAC name of 5-fluoro-N-[(1R)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-2-(tetrazol-1-yl)benzamide (CID 124847783) is 5-fluoro-N-[(1R)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-2-(tetrazol-1-yl)benzamide.

What is the SMILES notation for 5-fluoro-N-[(1R)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-2-(tetrazol-1-yl)benzamide?

The canonical SMILES for 5-fluoro-N-[(1R)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-2-(tetrazol-1-yl)benzamide is CC(C)[C@@H](NC(=O)c1cc(F)ccc1-n1cnnn1)c1nc2ccccc2n1C(C)C.

What is the InChIKey of 5-fluoro-N-[(1R)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-2-(tetrazol-1-yl)benzamide?

The InChIKey is LNLPFUOCOYKBID-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H24FN7O/c1-13(2)20(21-25-17-7-5-6-8-19(17)30(21)14(3)4)26-22(31)16-11-15(23)9-10-18(16)29-12-24-27-28-29/h5-14,20H,1-4H3,(H,26,31)/t20-/m1/s1.

What are the key properties of 5-fluoro-N-[(1R)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-2-(tetrazol-1-yl)benzamide?

5-fluoro-N-[(1R)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-2-(tetrazol-1-yl)benzamide has a molecular weight of 421.48 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-N-[(1R)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-2-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 124847783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).