4-chloro-1-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropylbenzimidazol-2-one;1-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropyl-4-methylbenzimidazol-2-one;1-[[5-chloro-1-(4,4,4-trifluorobutyl)pyrrolo[3,2-b]pyridin-2-yl]methyl]-3-cyclopropyl-4-methylbenzimidazol-2-one

C68H71Cl4F3N14O3 — CID 159182949

About 4-chloro-1-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropylbenzimidazol-2-one;1-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropyl-4-methylbenzimidazol-2-one;1-[[5-chloro-1-(4,4,4-trifluorobutyl)pyrrolo[3,2-b]pyridin-2-yl]methyl]-3-cyclopropyl-4-methylbenzimidazol-2-one

4-chloro-1-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropylbenzimidazol-2-one;1-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropyl-4-methylbenzimidazol-2-one;1-[[5-chloro-1-(4,4,4-trifluorobutyl)pyrrolo[3,2-b]pyridin-2-yl]methyl]-3-cyclopropyl-4-methylbenzimidazol-2-one (PubChem CID 159182949) has the molecular formula C68H71Cl4F3N14O3 and a molecular weight of 1331.22 g/mol. Its IUPAC name is 4-chloro-1-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropylbenzimidazol-2-one;1-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropyl-4-methylbenzimidazol-2-one;1-[[5-chloro-1-(4,4,4-trifluorobutyl)pyrrolo[3,2-b]pyridin-2-yl]methyl]-3-cyclopropyl-4-methylbenzimidazol-2-one.

Molecular Properties

• Compound Name: 4-chloro-1-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropylbenzimidazol-2-one;1-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropyl-4-methylbenzimidazol-2-one;1-[[5-chloro-1-(4,4,4-trifluorobutyl)pyrrolo[3,2-b]pyridin-2-yl]methyl]-3-cyclopropyl-4-methylbenzimidazol-2-one
• PubChem CID: 159182949
• Molecular Formula: C68H71Cl4F3N14O3
• Molecular Weight: 1331.22 g/mol
• Exact Mass: 1328.45
• IUPAC Name: 4-chloro-1-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropylbenzimidazol-2-one;1-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropyl-4-methylbenzimidazol-2-one;1-[[5-chloro-1-(4,4,4-trifluorobutyl)pyrrolo[3,2-b]pyridin-2-yl]methyl]-3-cyclopropyl-4-methylbenzimidazol-2-one
• SMILES: CC(C)CCn1c(Cn2c(=O)n(C3CC3)c3c(Cl)cccc32)nc2nc(Cl)ccc21.Cc1cccc2c1n(C1CC1)c(=O)n2Cc1cc2nc(Cl)ccc2n1CCCC(F)(F)F.Cc1cccc2c1n(C1CC1)c(=O)n2Cc1nc2nc(Cl)ccc2n1CCC(C)C
• InChI: InChI=1S/C23H22ClF3N4O.C23H26ClN5O.C22H23Cl2N5O/c1-14-4-2-5-19-21(14)31(15-6-7-15)22(32)30(19)13-16-12-17-18(8-9-20(24)28-17)29(16)11-3-10-23(25,26)27;1-14(2)11-12-27-18-9-10-19(24)25-22(18)26-20(27)13-28-17-6-4-5-15(3)21(17)29(23(28)30)16-7-8-16;1-13(2)10-11-27-17-8-9-18(24)25-21(17)26-19(27)12-28-16-5-3-4-15(23)20(16)29(22(28)30)14-6-7-14/h2,4-5,8-9,12,15H,3,6-7,10-11,13H2,1H3;4-6,9-10,14,16H,7-8,11-13H2,1-3H3;3-5,8-9,13-14H,6-7,10-12H2,1-2H3
• InChIKey: KNCZVVBPENNGOC-UHFFFAOYSA-N
• XLogP: 16.06
• TPSA: 160.03 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 18
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1331.22
LogP ≤ 5	16.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropylbenzimidazol-2-one;1-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropyl-4-methylbenzimidazol-2-one;1-[[5-chloro-1-(4,4,4-trifluorobutyl)pyrrolo[3,2-b]pyridin-2-yl]methyl]-3-cyclopropyl-4-methylbenzimidazol-2-one?

The IUPAC name of 4-chloro-1-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropylbenzimidazol-2-one;1-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropyl-4-methylbenzimidazol-2-one;1-[[5-chloro-1-(4,4,4-trifluorobutyl)pyrrolo[3,2-b]pyridin-2-yl]methyl]-3-cyclopropyl-4-methylbenzimidazol-2-one (CID 159182949) is 4-chloro-1-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropylbenzimidazol-2-one;1-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropyl-4-methylbenzimidazol-2-one;1-[[5-chloro-1-(4,4,4-trifluorobutyl)pyrrolo[3,2-b]pyridin-2-yl]methyl]-3-cyclopropyl-4-methylbenzimidazol-2-one.

What is the SMILES notation for 4-chloro-1-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropylbenzimidazol-2-one;1-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropyl-4-methylbenzimidazol-2-one;1-[[5-chloro-1-(4,4,4-trifluorobutyl)pyrrolo[3,2-b]pyridin-2-yl]methyl]-3-cyclopropyl-4-methylbenzimidazol-2-one?

The canonical SMILES for 4-chloro-1-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropylbenzimidazol-2-one;1-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropyl-4-methylbenzimidazol-2-one;1-[[5-chloro-1-(4,4,4-trifluorobutyl)pyrrolo[3,2-b]pyridin-2-yl]methyl]-3-cyclopropyl-4-methylbenzimidazol-2-one is CC(C)CCn1c(Cn2c(=O)n(C3CC3)c3c(Cl)cccc32)nc2nc(Cl)ccc21.Cc1cccc2c1n(C1CC1)c(=O)n2Cc1cc2nc(Cl)ccc2n1CCCC(F)(F)F.Cc1cccc2c1n(C1CC1)c(=O)n2Cc1nc2nc(Cl)ccc2n1CCC(C)C.

What is the InChIKey of 4-chloro-1-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropylbenzimidazol-2-one;1-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropyl-4-methylbenzimidazol-2-one;1-[[5-chloro-1-(4,4,4-trifluorobutyl)pyrrolo[3,2-b]pyridin-2-yl]methyl]-3-cyclopropyl-4-methylbenzimidazol-2-one?

The InChIKey is KNCZVVBPENNGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClF3N4O.C23H26ClN5O.C22H23Cl2N5O/c1-14-4-2-5-19-21(14)31(15-6-7-15)22(32)30(19)13-16-12-17-18(8-9-20(24)28-17)29(16)11-3-10-23(25,26)27;1-14(2)11-12-27-18-9-10-19(24)25-22(18)26-20(27)13-28-17-6-4-5-15(3)21(17)29(23(28)30)16-7-8-16;1-13(2)10-11-27-17-8-9-18(24)25-21(17)26-19(27)12-28-16-5-3-4-15(23)20(16)29(22(28)30)14-6-7-14/h2,4-5,8-9,12,15H,3,6-7,10-11,13H2,1H3;4-6,9-10,14,16H,7-8,11-13H2,1-3H3;3-5,8-9,13-14H,6-7,10-12H2,1-2H3.

What are the key properties of 4-chloro-1-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropylbenzimidazol-2-one;1-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropyl-4-methylbenzimidazol-2-one;1-[[5-chloro-1-(4,4,4-trifluorobutyl)pyrrolo[3,2-b]pyridin-2-yl]methyl]-3-cyclopropyl-4-methylbenzimidazol-2-one?

4-chloro-1-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropylbenzimidazol-2-one;1-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropyl-4-methylbenzimidazol-2-one;1-[[5-chloro-1-(4,4,4-trifluorobutyl)pyrrolo[3,2-b]pyridin-2-yl]methyl]-3-cyclopropyl-4-methylbenzimidazol-2-one has a molecular weight of 1331.22 g/mol, XLogP of 16.06, 18 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-1-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropylbenzimidazol-2-one;1-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropyl-4-methylbenzimidazol-2-one;1-[[5-chloro-1-(4,4,4-trifluorobutyl)pyrrolo[3,2-b]pyridin-2-yl]methyl]-3-cyclopropyl-4-methylbenzimidazol-2-one is sourced from PubChem (CID 159182949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).