1-(3H-benzimidazol-5-yl)-3-cyclopropyl-4-[2-methyl-4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]azetidin-2-one

C24H20F3N5O — CID 167272330

About 1-(3H-benzimidazol-5-yl)-3-cyclopropyl-4-[2-methyl-4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]azetidin-2-one

1-(3H-benzimidazol-5-yl)-3-cyclopropyl-4-[2-methyl-4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]azetidin-2-one (PubChem CID 167272330) has the molecular formula C24H20F3N5O and a molecular weight of 451.45 g/mol. Its IUPAC name is 1-(3H-benzimidazol-5-yl)-3-cyclopropyl-4-[2-methyl-4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]azetidin-2-one.

Molecular Properties

• Compound Name: 1-(3H-benzimidazol-5-yl)-3-cyclopropyl-4-[2-methyl-4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]azetidin-2-one
• PubChem CID: 167272330
• Molecular Formula: C24H20F3N5O
• Molecular Weight: 451.45 g/mol
• Exact Mass: 451.16
• IUPAC Name: 1-(3H-benzimidazol-5-yl)-3-cyclopropyl-4-[2-methyl-4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]azetidin-2-one
• SMILES: Cc1cc(-c2cnn(C(F)(F)F)c2)ccc1C1C(C2CC2)C(=O)N1c1ccc2nc[nH]c2c1
• InChI: InChI=1S/C24H20F3N5O/c1-13-8-15(16-10-30-31(11-16)24(25,26)27)4-6-18(13)22-21(14-2-3-14)23(33)32(22)17-5-7-19-20(9-17)29-12-28-19/h4-12,14,21-22H,2-3H2,1H3,(H,28,29)
• InChIKey: SUQFOMMDRMUHIA-UHFFFAOYSA-N
• XLogP: 5.33
• TPSA: 66.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	451.45
LogP ≤ 5	5.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(3H-benzimidazol-5-yl)-3-cyclopropyl-4-[2-methyl-4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]azetidin-2-one?

The IUPAC name of 1-(3H-benzimidazol-5-yl)-3-cyclopropyl-4-[2-methyl-4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]azetidin-2-one (CID 167272330) is 1-(3H-benzimidazol-5-yl)-3-cyclopropyl-4-[2-methyl-4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]azetidin-2-one.

What is the SMILES notation for 1-(3H-benzimidazol-5-yl)-3-cyclopropyl-4-[2-methyl-4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]azetidin-2-one?

The canonical SMILES for 1-(3H-benzimidazol-5-yl)-3-cyclopropyl-4-[2-methyl-4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]azetidin-2-one is Cc1cc(-c2cnn(C(F)(F)F)c2)ccc1C1C(C2CC2)C(=O)N1c1ccc2nc[nH]c2c1.

What is the InChIKey of 1-(3H-benzimidazol-5-yl)-3-cyclopropyl-4-[2-methyl-4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]azetidin-2-one?

The InChIKey is SUQFOMMDRMUHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O/c1-13-8-15(16-10-30-31(11-16)24(25,26)27)4-6-18(13)22-21(14-2-3-14)23(33)32(22)17-5-7-19-20(9-17)29-12-28-19/h4-12,14,21-22H,2-3H2,1H3,(H,28,29).

What are the key properties of 1-(3H-benzimidazol-5-yl)-3-cyclopropyl-4-[2-methyl-4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]azetidin-2-one?

1-(3H-benzimidazol-5-yl)-3-cyclopropyl-4-[2-methyl-4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]azetidin-2-one has a molecular weight of 451.45 g/mol, XLogP of 5.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3H-benzimidazol-5-yl)-3-cyclopropyl-4-[2-methyl-4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]azetidin-2-one is sourced from PubChem (CID 167272330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).