7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-7-(4-cyclopropylimidazol-1-yl)-1-propan-2-ylbenzimidazole-5-carboxamide;5-cyclopropyl-1H-imidazole;deuterio(fluoro)methane

C49H48BrCl2F5N10O4 — CID 159007669

About 7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-7-(4-cyclopropylimidazol-1-yl)-1-propan-2-ylbenzimidazole-5-carboxamide;5-cyclopropyl-1H-imidazole;deuterio(fluoro)methane

7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-7-(4-cyclopropylimidazol-1-yl)-1-propan-2-ylbenzimidazole-5-carboxamide;5-cyclopropyl-1H-imidazole;deuterio(fluoro)methane (PubChem CID 159007669) has the molecular formula C49H48BrCl2F5N10O4 and a molecular weight of 1087.80 g/mol. Its IUPAC name is 7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-7-(4-cyclopropylimidazol-1-yl)-1-propan-2-ylbenzimidazole-5-carboxamide;5-cyclopropyl-1H-imidazole;deuterio(fluoro)methane.

Molecular Properties

• Compound Name: 7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-7-(4-cyclopropylimidazol-1-yl)-1-propan-2-ylbenzimidazole-5-carboxamide;5-cyclopropyl-1H-imidazole;deuterio(fluoro)methane
• PubChem CID: 159007669
• Molecular Formula: C49H48BrCl2F5N10O4
• Molecular Weight: 1087.80 g/mol
• Exact Mass: 1085.24
• IUPAC Name: 7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-7-(4-cyclopropylimidazol-1-yl)-1-propan-2-ylbenzimidazole-5-carboxamide;5-cyclopropyl-1H-imidazole;deuterio(fluoro)methane
• SMILES: CC(C)n1cnc2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(-n3cnc(C4CC4)c3)c21.CC(C)n1cnc2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(Br)c21.[2H]CF.c1ncc(C2CC2)[nH]1
• InChI: InChI=1S/C24H22ClF2N5O2.C18H15BrClF2N3O2.C6H8N2.CH3F/c1-14(2)32-13-29-19-9-16(10-21(22(19)32)31-11-20(28-12-31)15-3-4-15)23(33)30-17-5-7-18(8-6-17)34-24(25,26)27;1-10(2)25-9-23-15-8-11(7-14(19)16(15)25)17(26)24-12-3-5-13(6-4-12)27-18(20,21)22;1-2-5(1)6-3-7-4-8-6;1-2/h5-15H,3-4H2,1-2H3,(H,30,33);3-10H,1-2H3,(H,24,26);3-5H,1-2H2,(H,7,8);1H3/i;;;1D
• InChIKey: JSCSRISMWHVCBJ-PBJKEDEQSA-N
• XLogP: 13.77
• TPSA: 158.80 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 13
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1087.80
LogP ≤ 5	13.77
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-7-(4-cyclopropylimidazol-1-yl)-1-propan-2-ylbenzimidazole-5-carboxamide;5-cyclopropyl-1H-imidazole;deuterio(fluoro)methane?

The IUPAC name of 7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-7-(4-cyclopropylimidazol-1-yl)-1-propan-2-ylbenzimidazole-5-carboxamide;5-cyclopropyl-1H-imidazole;deuterio(fluoro)methane (CID 159007669) is 7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-7-(4-cyclopropylimidazol-1-yl)-1-propan-2-ylbenzimidazole-5-carboxamide;5-cyclopropyl-1H-imidazole;deuterio(fluoro)methane.

What is the SMILES notation for 7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-7-(4-cyclopropylimidazol-1-yl)-1-propan-2-ylbenzimidazole-5-carboxamide;5-cyclopropyl-1H-imidazole;deuterio(fluoro)methane?

The canonical SMILES for 7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-7-(4-cyclopropylimidazol-1-yl)-1-propan-2-ylbenzimidazole-5-carboxamide;5-cyclopropyl-1H-imidazole;deuterio(fluoro)methane is CC(C)n1cnc2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(-n3cnc(C4CC4)c3)c21.CC(C)n1cnc2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(Br)c21.[2H]CF.c1ncc(C2CC2)[nH]1.

What is the InChIKey of 7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-7-(4-cyclopropylimidazol-1-yl)-1-propan-2-ylbenzimidazole-5-carboxamide;5-cyclopropyl-1H-imidazole;deuterio(fluoro)methane?

The InChIKey is JSCSRISMWHVCBJ-PBJKEDEQSA-N. The full InChI is InChI=1S/C24H22ClF2N5O2.C18H15BrClF2N3O2.C6H8N2.CH3F/c1-14(2)32-13-29-19-9-16(10-21(22(19)32)31-11-20(28-12-31)15-3-4-15)23(33)30-17-5-7-18(8-6-17)34-24(25,26)27;1-10(2)25-9-23-15-8-11(7-14(19)16(15)25)17(26)24-12-3-5-13(6-4-12)27-18(20,21)22;1-2-5(1)6-3-7-4-8-6;1-2/h5-15H,3-4H2,1-2H3,(H,30,33);3-10H,1-2H3,(H,24,26);3-5H,1-2H2,(H,7,8);1H3/i;;;1D.

What are the key properties of 7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-7-(4-cyclopropylimidazol-1-yl)-1-propan-2-ylbenzimidazole-5-carboxamide;5-cyclopropyl-1H-imidazole;deuterio(fluoro)methane?

7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-7-(4-cyclopropylimidazol-1-yl)-1-propan-2-ylbenzimidazole-5-carboxamide;5-cyclopropyl-1H-imidazole;deuterio(fluoro)methane has a molecular weight of 1087.80 g/mol, XLogP of 13.77, 13 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-7-(4-cyclopropylimidazol-1-yl)-1-propan-2-ylbenzimidazole-5-carboxamide;5-cyclopropyl-1H-imidazole;deuterio(fluoro)methane is sourced from PubChem (CID 159007669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).