6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-4-(3,6-dihydro-2H-pyran-4-yl)-1,3-dimethylbenzimidazol-2-one

C28H29F2N5O2 — CID 138618710

About 6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-4-(3,6-dihydro-2H-pyran-4-yl)-1,3-dimethylbenzimidazol-2-one

6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-4-(3,6-dihydro-2H-pyran-4-yl)-1,3-dimethylbenzimidazol-2-one (PubChem CID 138618710) has the molecular formula C28H29F2N5O2 and a molecular weight of 505.57 g/mol. Its IUPAC name is 6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-4-(3,6-dihydro-2H-pyran-4-yl)-1,3-dimethylbenzimidazol-2-one.

Molecular Properties

• Compound Name: 6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-4-(3,6-dihydro-2H-pyran-4-yl)-1,3-dimethylbenzimidazol-2-one
• PubChem CID: 138618710
• Molecular Formula: C28H29F2N5O2
• Molecular Weight: 505.57 g/mol
• Exact Mass: 505.23
• IUPAC Name: 6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-4-(3,6-dihydro-2H-pyran-4-yl)-1,3-dimethylbenzimidazol-2-one
• SMILES: Cn1cc(-c2cc3c(cc2C(F)F)N(c2cc(C4=CCOCC4)c4c(c2)n(C)c(=O)n4C)CCC3)cn1
• InChI: InChI=1S/C28H29F2N5O2/c1-32-16-19(15-31-32)21-11-18-5-4-8-35(24(18)14-23(21)27(29)30)20-12-22(17-6-9-37-10-7-17)26-25(13-20)33(2)28(36)34(26)3/h6,11-16,27H,4-5,7-10H2,1-3H3
• InChIKey: FQEDACGCVGNPCH-UHFFFAOYSA-N
• XLogP: 5.10
• TPSA: 57.22 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	505.57
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-4-(3,6-dihydro-2H-pyran-4-yl)-1,3-dimethylbenzimidazol-2-one?

The IUPAC name of 6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-4-(3,6-dihydro-2H-pyran-4-yl)-1,3-dimethylbenzimidazol-2-one (CID 138618710) is 6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-4-(3,6-dihydro-2H-pyran-4-yl)-1,3-dimethylbenzimidazol-2-one.

What is the SMILES notation for 6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-4-(3,6-dihydro-2H-pyran-4-yl)-1,3-dimethylbenzimidazol-2-one?

The canonical SMILES for 6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-4-(3,6-dihydro-2H-pyran-4-yl)-1,3-dimethylbenzimidazol-2-one is Cn1cc(-c2cc3c(cc2C(F)F)N(c2cc(C4=CCOCC4)c4c(c2)n(C)c(=O)n4C)CCC3)cn1.

What is the InChIKey of 6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-4-(3,6-dihydro-2H-pyran-4-yl)-1,3-dimethylbenzimidazol-2-one?

The InChIKey is FQEDACGCVGNPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F2N5O2/c1-32-16-19(15-31-32)21-11-18-5-4-8-35(24(18)14-23(21)27(29)30)20-12-22(17-6-9-37-10-7-17)26-25(13-20)33(2)28(36)34(26)3/h6,11-16,27H,4-5,7-10H2,1-3H3.

What are the key properties of 6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-4-(3,6-dihydro-2H-pyran-4-yl)-1,3-dimethylbenzimidazol-2-one?

6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-4-(3,6-dihydro-2H-pyran-4-yl)-1,3-dimethylbenzimidazol-2-one has a molecular weight of 505.57 g/mol, XLogP of 5.10, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-4-(3,6-dihydro-2H-pyran-4-yl)-1,3-dimethylbenzimidazol-2-one is sourced from PubChem (CID 138618710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).