9-chloro-1-(2-cyclopropyl-4,6-dimethylpyrimidin-5-yl)-6-[1-(difluoromethoxy)-2-fluoro-2-methylpropyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole

C24H27ClF3N5O — CID 143837563

About 9-chloro-1-(2-cyclopropyl-4,6-dimethylpyrimidin-5-yl)-6-[1-(difluoromethoxy)-2-fluoro-2-methylpropyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole

9-chloro-1-(2-cyclopropyl-4,6-dimethylpyrimidin-5-yl)-6-[1-(difluoromethoxy)-2-fluoro-2-methylpropyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole (PubChem CID 143837563) has the molecular formula C24H27ClF3N5O and a molecular weight of 493.96 g/mol. Its IUPAC name is 9-chloro-1-(2-cyclopropyl-4,6-dimethylpyrimidin-5-yl)-6-[1-(difluoromethoxy)-2-fluoro-2-methylpropyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole.

Molecular Properties

• Compound Name: 9-chloro-1-(2-cyclopropyl-4,6-dimethylpyrimidin-5-yl)-6-[1-(difluoromethoxy)-2-fluoro-2-methylpropyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole
• PubChem CID: 143837563
• Molecular Formula: C24H27ClF3N5O
• Molecular Weight: 493.96 g/mol
• Exact Mass: 493.19
• IUPAC Name: 9-chloro-1-(2-cyclopropyl-4,6-dimethylpyrimidin-5-yl)-6-[1-(difluoromethoxy)-2-fluoro-2-methylpropyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole
• SMILES: Cc1nc(C2CC2)nc(C)c1N1CCCn2c1nc1c(Cl)ccc(C(OC(F)F)C(C)(C)F)c12
• InChI: InChI=1S/C24H27ClF3N5O/c1-12-18(13(2)30-21(29-12)14-6-7-14)32-10-5-11-33-19-15(20(24(3,4)28)34-22(26)27)8-9-16(25)17(19)31-23(32)33/h8-9,14,20,22H,5-7,10-11H2,1-4H3
• InChIKey: LZAFJZKQNXDJCG-UHFFFAOYSA-N
• XLogP: 6.54
• TPSA: 56.07 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	493.96
LogP ≤ 5	6.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9-chloro-1-(2-cyclopropyl-4,6-dimethylpyrimidin-5-yl)-6-[1-(difluoromethoxy)-2-fluoro-2-methylpropyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole?

The IUPAC name of 9-chloro-1-(2-cyclopropyl-4,6-dimethylpyrimidin-5-yl)-6-[1-(difluoromethoxy)-2-fluoro-2-methylpropyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole (CID 143837563) is 9-chloro-1-(2-cyclopropyl-4,6-dimethylpyrimidin-5-yl)-6-[1-(difluoromethoxy)-2-fluoro-2-methylpropyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole.

What is the SMILES notation for 9-chloro-1-(2-cyclopropyl-4,6-dimethylpyrimidin-5-yl)-6-[1-(difluoromethoxy)-2-fluoro-2-methylpropyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole?

The canonical SMILES for 9-chloro-1-(2-cyclopropyl-4,6-dimethylpyrimidin-5-yl)-6-[1-(difluoromethoxy)-2-fluoro-2-methylpropyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole is Cc1nc(C2CC2)nc(C)c1N1CCCn2c1nc1c(Cl)ccc(C(OC(F)F)C(C)(C)F)c12.

What is the InChIKey of 9-chloro-1-(2-cyclopropyl-4,6-dimethylpyrimidin-5-yl)-6-[1-(difluoromethoxy)-2-fluoro-2-methylpropyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole?

The InChIKey is LZAFJZKQNXDJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClF3N5O/c1-12-18(13(2)30-21(29-12)14-6-7-14)32-10-5-11-33-19-15(20(24(3,4)28)34-22(26)27)8-9-16(25)17(19)31-23(32)33/h8-9,14,20,22H,5-7,10-11H2,1-4H3.

What are the key properties of 9-chloro-1-(2-cyclopropyl-4,6-dimethylpyrimidin-5-yl)-6-[1-(difluoromethoxy)-2-fluoro-2-methylpropyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole?

9-chloro-1-(2-cyclopropyl-4,6-dimethylpyrimidin-5-yl)-6-[1-(difluoromethoxy)-2-fluoro-2-methylpropyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole has a molecular weight of 493.96 g/mol, XLogP of 6.54, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-chloro-1-(2-cyclopropyl-4,6-dimethylpyrimidin-5-yl)-6-[1-(difluoromethoxy)-2-fluoro-2-methylpropyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole is sourced from PubChem (CID 143837563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).