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

C67H67ClF6N12O3 — CID 157371908

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

1-[[3-chloro-1-(4,4,4-trifluorobutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]-3-cyclopropylbenzimidazol-2-one;1-cyclopropyl-3-[[1-(3-methylbutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]benzimidazol-2-one;1-cyclopropyl-3-[[1-(4,4,4-trifluorobutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]benzimidazol-2-one (PubChem CID 157371908) has the molecular formula C67H67ClF6N12O3 and a molecular weight of 1237.79 g/mol. Its IUPAC name is 1-[[3-chloro-1-(4,4,4-trifluorobutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]-3-cyclopropylbenzimidazol-2-one;1-cyclopropyl-3-[[1-(3-methylbutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]benzimidazol-2-one;1-cyclopropyl-3-[[1-(4,4,4-trifluorobutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]benzimidazol-2-one.

Molecular Properties

• Compound Name: 1-[[3-chloro-1-(4,4,4-trifluorobutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]-3-cyclopropylbenzimidazol-2-one;1-cyclopropyl-3-[[1-(3-methylbutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]benzimidazol-2-one;1-cyclopropyl-3-[[1-(4,4,4-trifluorobutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]benzimidazol-2-one
• PubChem CID: 157371908
• Molecular Formula: C67H67ClF6N12O3
• Molecular Weight: 1237.79 g/mol
• Exact Mass: 1236.51
• IUPAC Name: 1-[[3-chloro-1-(4,4,4-trifluorobutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]-3-cyclopropylbenzimidazol-2-one;1-cyclopropyl-3-[[1-(3-methylbutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]benzimidazol-2-one;1-cyclopropyl-3-[[1-(4,4,4-trifluorobutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]benzimidazol-2-one
• SMILES: CC(C)CCn1c(Cn2c(=O)n(C3CC3)c3ccccc32)cc2cnccc21.O=c1n(Cc2c(Cl)c3cnccc3n2CCCC(F)(F)F)c2ccccc2n1C1CC1.O=c1n(Cc2cc3cnccc3n2CCCC(F)(F)F)c2ccccc2n1C1CC1
• InChI: InChI=1S/C23H26N4O.C22H20ClF3N4O.C22H21F3N4O/c1-16(2)10-12-25-19(13-17-14-24-11-9-20(17)25)15-26-21-5-3-4-6-22(21)27(23(26)28)18-7-8-18;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;23-22(24,25)9-3-11-27-17(12-15-13-26-10-8-18(15)27)14-28-19-4-1-2-5-20(19)29(21(28)30)16-6-7-16/h3-6,9,11,13-14,16,18H,7-8,10,12,15H2,1-2H3;1-2,4-5,8,10,12,14H,3,6-7,9,11,13H2;1-2,4-5,8,10,12-13,16H,3,6-7,9,11,14H2
• InChIKey: BJWFHAFSCILFTJ-UHFFFAOYSA-N
• XLogP: 14.99
• TPSA: 134.25 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 18
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1237.79
LogP ≤ 5	14.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

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

The IUPAC name of 1-[[3-chloro-1-(4,4,4-trifluorobutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]-3-cyclopropylbenzimidazol-2-one;1-cyclopropyl-3-[[1-(3-methylbutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]benzimidazol-2-one;1-cyclopropyl-3-[[1-(4,4,4-trifluorobutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]benzimidazol-2-one (CID 157371908) is 1-[[3-chloro-1-(4,4,4-trifluorobutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]-3-cyclopropylbenzimidazol-2-one;1-cyclopropyl-3-[[1-(3-methylbutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]benzimidazol-2-one;1-cyclopropyl-3-[[1-(4,4,4-trifluorobutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]benzimidazol-2-one.

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

The canonical SMILES for 1-[[3-chloro-1-(4,4,4-trifluorobutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]-3-cyclopropylbenzimidazol-2-one;1-cyclopropyl-3-[[1-(3-methylbutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]benzimidazol-2-one;1-cyclopropyl-3-[[1-(4,4,4-trifluorobutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]benzimidazol-2-one is CC(C)CCn1c(Cn2c(=O)n(C3CC3)c3ccccc32)cc2cnccc21.O=c1n(Cc2c(Cl)c3cnccc3n2CCCC(F)(F)F)c2ccccc2n1C1CC1.O=c1n(Cc2cc3cnccc3n2CCCC(F)(F)F)c2ccccc2n1C1CC1.

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

The InChIKey is BJWFHAFSCILFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O.C22H20ClF3N4O.C22H21F3N4O/c1-16(2)10-12-25-19(13-17-14-24-11-9-20(17)25)15-26-21-5-3-4-6-22(21)27(23(26)28)18-7-8-18;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;23-22(24,25)9-3-11-27-17(12-15-13-26-10-8-18(15)27)14-28-19-4-1-2-5-20(19)29(21(28)30)16-6-7-16/h3-6,9,11,13-14,16,18H,7-8,10,12,15H2,1-2H3;1-2,4-5,8,10,12,14H,3,6-7,9,11,13H2;1-2,4-5,8,10,12-13,16H,3,6-7,9,11,14H2.

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

1-[[3-chloro-1-(4,4,4-trifluorobutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]-3-cyclopropylbenzimidazol-2-one;1-cyclopropyl-3-[[1-(3-methylbutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]benzimidazol-2-one;1-cyclopropyl-3-[[1-(4,4,4-trifluorobutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]benzimidazol-2-one has a molecular weight of 1237.79 g/mol, XLogP of 14.99, 18 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[3-chloro-1-(4,4,4-trifluorobutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]-3-cyclopropylbenzimidazol-2-one;1-cyclopropyl-3-[[1-(3-methylbutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]benzimidazol-2-one;1-cyclopropyl-3-[[1-(4,4,4-trifluorobutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]benzimidazol-2-one is sourced from PubChem (CID 157371908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).