1-cyclopropyl-3-[[3-fluoro-1-(4,4,4-trifluorobutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]benzimidazol-2-one;1-cyclopropyl-4-fluoro-3-[[1-(4,4,4-trifluorobutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]benzimidazol-2-one;1-cyclopropyl-3-[[3-methyl-1-(4,4,4-trifluorobutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]benzimidazol-2-one

C67H63F11N12O3 — CID 157351102

About 1-cyclopropyl-3-[[3-fluoro-1-(4,4,4-trifluorobutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]benzimidazol-2-one;1-cyclopropyl-4-fluoro-3-[[1-(4,4,4-trifluorobutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]benzimidazol-2-one;1-cyclopropyl-3-[[3-methyl-1-(4,4,4-trifluorobutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]benzimidazol-2-one

1-cyclopropyl-3-[[3-fluoro-1-(4,4,4-trifluorobutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]benzimidazol-2-one;1-cyclopropyl-4-fluoro-3-[[1-(4,4,4-trifluorobutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]benzimidazol-2-one;1-cyclopropyl-3-[[3-methyl-1-(4,4,4-trifluorobutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]benzimidazol-2-one (PubChem CID 157351102) has the molecular formula C67H63F11N12O3 and a molecular weight of 1293.30 g/mol. Its IUPAC name is 1-cyclopropyl-3-[[3-fluoro-1-(4,4,4-trifluorobutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]benzimidazol-2-one;1-cyclopropyl-4-fluoro-3-[[1-(4,4,4-trifluorobutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]benzimidazol-2-one;1-cyclopropyl-3-[[3-methyl-1-(4,4,4-trifluorobutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]benzimidazol-2-one.

Molecular Properties

• Compound Name: 1-cyclopropyl-3-[[3-fluoro-1-(4,4,4-trifluorobutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]benzimidazol-2-one;1-cyclopropyl-4-fluoro-3-[[1-(4,4,4-trifluorobutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]benzimidazol-2-one;1-cyclopropyl-3-[[3-methyl-1-(4,4,4-trifluorobutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]benzimidazol-2-one
• PubChem CID: 157351102
• Molecular Formula: C67H63F11N12O3
• Molecular Weight: 1293.30 g/mol
• Exact Mass: 1292.50
• IUPAC Name: 1-cyclopropyl-3-[[3-fluoro-1-(4,4,4-trifluorobutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]benzimidazol-2-one;1-cyclopropyl-4-fluoro-3-[[1-(4,4,4-trifluorobutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]benzimidazol-2-one;1-cyclopropyl-3-[[3-methyl-1-(4,4,4-trifluorobutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]benzimidazol-2-one
• SMILES: Cc1c(Cn2c(=O)n(C3CC3)c3ccccc32)n(CCCC(F)(F)F)c2ccncc12.O=c1n(Cc2c(F)c3cnccc3n2CCCC(F)(F)F)c2ccccc2n1C1CC1.O=c1n(Cc2cc3cnccc3n2CCCC(F)(F)F)c2c(F)cccc2n1C1CC1
• InChI: InChI=1S/C23H23F3N4O.2C22H20F4N4O/c1-15-17-13-27-11-9-18(17)28(12-4-10-23(24,25)26)21(15)14-29-19-5-2-3-6-20(19)30(22(29)31)16-7-8-16;23-17-3-1-4-19-20(17)29(21(31)30(19)15-5-6-15)13-16-11-14-12-27-9-7-18(14)28(16)10-2-8-22(24,25)26;23-20-15-12-27-10-8-16(15)28(11-3-9-22(24,25)26)19(20)13-29-17-4-1-2-5-18(17)30(21(29)31)14-6-7-14/h2-3,5-6,9,11,13,16H,4,7-8,10,12,14H2,1H3;1,3-4,7,9,11-12,15H,2,5-6,8,10,13H2;1-2,4-5,8,10,12,14H,3,6-7,9,11,13H2
• InChIKey: BHNSCCXMHUEWOX-UHFFFAOYSA-N
• XLogP: 15.22
• TPSA: 134.25 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 18
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1293.30
LogP ≤ 5	15.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[[3-fluoro-1-(4,4,4-trifluorobutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]benzimidazol-2-one;1-cyclopropyl-4-fluoro-3-[[1-(4,4,4-trifluorobutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]benzimidazol-2-one;1-cyclopropyl-3-[[3-methyl-1-(4,4,4-trifluorobutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]benzimidazol-2-one?

The IUPAC name of 1-cyclopropyl-3-[[3-fluoro-1-(4,4,4-trifluorobutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]benzimidazol-2-one;1-cyclopropyl-4-fluoro-3-[[1-(4,4,4-trifluorobutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]benzimidazol-2-one;1-cyclopropyl-3-[[3-methyl-1-(4,4,4-trifluorobutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]benzimidazol-2-one (CID 157351102) is 1-cyclopropyl-3-[[3-fluoro-1-(4,4,4-trifluorobutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]benzimidazol-2-one;1-cyclopropyl-4-fluoro-3-[[1-(4,4,4-trifluorobutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]benzimidazol-2-one;1-cyclopropyl-3-[[3-methyl-1-(4,4,4-trifluorobutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]benzimidazol-2-one.

What is the SMILES notation for 1-cyclopropyl-3-[[3-fluoro-1-(4,4,4-trifluorobutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]benzimidazol-2-one;1-cyclopropyl-4-fluoro-3-[[1-(4,4,4-trifluorobutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]benzimidazol-2-one;1-cyclopropyl-3-[[3-methyl-1-(4,4,4-trifluorobutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]benzimidazol-2-one?

The canonical SMILES for 1-cyclopropyl-3-[[3-fluoro-1-(4,4,4-trifluorobutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]benzimidazol-2-one;1-cyclopropyl-4-fluoro-3-[[1-(4,4,4-trifluorobutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]benzimidazol-2-one;1-cyclopropyl-3-[[3-methyl-1-(4,4,4-trifluorobutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]benzimidazol-2-one is Cc1c(Cn2c(=O)n(C3CC3)c3ccccc32)n(CCCC(F)(F)F)c2ccncc12.O=c1n(Cc2c(F)c3cnccc3n2CCCC(F)(F)F)c2ccccc2n1C1CC1.O=c1n(Cc2cc3cnccc3n2CCCC(F)(F)F)c2c(F)cccc2n1C1CC1.

What is the InChIKey of 1-cyclopropyl-3-[[3-fluoro-1-(4,4,4-trifluorobutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]benzimidazol-2-one;1-cyclopropyl-4-fluoro-3-[[1-(4,4,4-trifluorobutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]benzimidazol-2-one;1-cyclopropyl-3-[[3-methyl-1-(4,4,4-trifluorobutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]benzimidazol-2-one?

The InChIKey is BHNSCCXMHUEWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O.2C22H20F4N4O/c1-15-17-13-27-11-9-18(17)28(12-4-10-23(24,25)26)21(15)14-29-19-5-2-3-6-20(19)30(22(29)31)16-7-8-16;23-17-3-1-4-19-20(17)29(21(31)30(19)15-5-6-15)13-16-11-14-12-27-9-7-18(14)28(16)10-2-8-22(24,25)26;23-20-15-12-27-10-8-16(15)28(11-3-9-22(24,25)26)19(20)13-29-17-4-1-2-5-18(17)30(21(29)31)14-6-7-14/h2-3,5-6,9,11,13,16H,4,7-8,10,12,14H2,1H3;1,3-4,7,9,11-12,15H,2,5-6,8,10,13H2;1-2,4-5,8,10,12,14H,3,6-7,9,11,13H2.

What are the key properties of 1-cyclopropyl-3-[[3-fluoro-1-(4,4,4-trifluorobutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]benzimidazol-2-one;1-cyclopropyl-4-fluoro-3-[[1-(4,4,4-trifluorobutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]benzimidazol-2-one;1-cyclopropyl-3-[[3-methyl-1-(4,4,4-trifluorobutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]benzimidazol-2-one?

1-cyclopropyl-3-[[3-fluoro-1-(4,4,4-trifluorobutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]benzimidazol-2-one;1-cyclopropyl-4-fluoro-3-[[1-(4,4,4-trifluorobutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]benzimidazol-2-one;1-cyclopropyl-3-[[3-methyl-1-(4,4,4-trifluorobutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]benzimidazol-2-one has a molecular weight of 1293.30 g/mol, XLogP of 15.22, 18 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropyl-3-[[3-fluoro-1-(4,4,4-trifluorobutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]benzimidazol-2-one;1-cyclopropyl-4-fluoro-3-[[1-(4,4,4-trifluorobutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]benzimidazol-2-one;1-cyclopropyl-3-[[3-methyl-1-(4,4,4-trifluorobutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]benzimidazol-2-one is sourced from PubChem (CID 157351102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).