1-[2-[3-(ethoxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]ethyl]-3-ethyl-5,6-difluoro-4,5-dihydrobenzimidazol-2-one

C27H38F2N4O2 — CID 162430574

About 1-[2-[3-(ethoxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]ethyl]-3-ethyl-5,6-difluoro-4,5-dihydrobenzimidazol-2-one

1-[2-[3-(ethoxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]ethyl]-3-ethyl-5,6-difluoro-4,5-dihydrobenzimidazol-2-one (PubChem CID 162430574) has the molecular formula C27H38F2N4O2 and a molecular weight of 488.62 g/mol. Its IUPAC name is 1-[2-[3-(ethoxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]ethyl]-3-ethyl-5,6-difluoro-4,5-dihydrobenzimidazol-2-one.

Molecular Properties

• Compound Name: 1-[2-[3-(ethoxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]ethyl]-3-ethyl-5,6-difluoro-4,5-dihydrobenzimidazol-2-one
• PubChem CID: 162430574
• Molecular Formula: C27H38F2N4O2
• Molecular Weight: 488.62 g/mol
• Exact Mass: 488.30
• IUPAC Name: 1-[2-[3-(ethoxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]ethyl]-3-ethyl-5,6-difluoro-4,5-dihydrobenzimidazol-2-one
• SMILES: CCOCC1(CCn2c3c(n(CC)c2=O)CC(F)C(F)=C3)CCN(C(C)(C)c2ccc(C)nc2)C1
• InChI: InChI=1S/C27H38F2N4O2/c1-6-32-23-14-21(28)22(29)15-24(23)33(25(32)34)13-11-27(18-35-7-2)10-12-31(17-27)26(4,5)20-9-8-19(3)30-16-20/h8-9,15-16,21H,6-7,10-14,17-18H2,1-5H3
• InChIKey: GBLANSBFTXSQEG-UHFFFAOYSA-N
• XLogP: 4.63
• TPSA: 52.29 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.62
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(ethoxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]ethyl]-3-ethyl-5,6-difluoro-4,5-dihydrobenzimidazol-2-one?

The IUPAC name of 1-[2-[3-(ethoxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]ethyl]-3-ethyl-5,6-difluoro-4,5-dihydrobenzimidazol-2-one (CID 162430574) is 1-[2-[3-(ethoxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]ethyl]-3-ethyl-5,6-difluoro-4,5-dihydrobenzimidazol-2-one.

What is the SMILES notation for 1-[2-[3-(ethoxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]ethyl]-3-ethyl-5,6-difluoro-4,5-dihydrobenzimidazol-2-one?

The canonical SMILES for 1-[2-[3-(ethoxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]ethyl]-3-ethyl-5,6-difluoro-4,5-dihydrobenzimidazol-2-one is CCOCC1(CCn2c3c(n(CC)c2=O)CC(F)C(F)=C3)CCN(C(C)(C)c2ccc(C)nc2)C1.

What is the InChIKey of 1-[2-[3-(ethoxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]ethyl]-3-ethyl-5,6-difluoro-4,5-dihydrobenzimidazol-2-one?

The InChIKey is GBLANSBFTXSQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38F2N4O2/c1-6-32-23-14-21(28)22(29)15-24(23)33(25(32)34)13-11-27(18-35-7-2)10-12-31(17-27)26(4,5)20-9-8-19(3)30-16-20/h8-9,15-16,21H,6-7,10-14,17-18H2,1-5H3.

What are the key properties of 1-[2-[3-(ethoxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]ethyl]-3-ethyl-5,6-difluoro-4,5-dihydrobenzimidazol-2-one?

1-[2-[3-(ethoxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]ethyl]-3-ethyl-5,6-difluoro-4,5-dihydrobenzimidazol-2-one has a molecular weight of 488.62 g/mol, XLogP of 4.63, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[3-(ethoxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]ethyl]-3-ethyl-5,6-difluoro-4,5-dihydrobenzimidazol-2-one is sourced from PubChem (CID 162430574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).