2-[(1S,5R)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]-N-(4-fluorophenyl)propanamide

C22H20F3N3O — CID 146318378

IUPAC2-[(1S,5R)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]-N-(4-fluorophenyl)propanamide
SMILESCC(C(=O)Nc1ccc(F)cc1)C1[C@H]2CC(n3cnc4cc(F)c(F)cc43)C[C@@H]12
InChIInChI=1S/C22H20F3N3O/c1-11(22(29)27-13-4-2-12(23)3-5-13)21-15-6-14(7-16(15)21)28-10-26-19-8-17(24)18(25)9-20(19)28/h2-5,8-11,14-16,21H,6-7H2,1H3,(H,27,29)/t11?,14?,15-,16+,21?
InChIKeyISDJTJRMGUFFFE-QEUIKMJUSA-N
MW399.42 g/mol
LogP4.93
Rot. Bonds4

About 2-[(1S,5R)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]-N-(4-fluorophenyl)propanamide

2-[(1S,5R)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]-N-(4-fluorophenyl)propanamide (PubChem CID 146318378) has the molecular formula C22H20F3N3O and a molecular weight of 399.42 g/mol. Its IUPAC name is 2-[(1S,5R)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]-N-(4-fluorophenyl)propanamide.

Molecular Properties

Compound Name2-[(1S,5R)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]-N-(4-fluorophenyl)propanamide
PubChem CID146318378
Molecular FormulaC22H20F3N3O
Molecular Weight399.42 g/mol
Exact Mass399.16
IUPAC Name2-[(1S,5R)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]-N-(4-fluorophenyl)propanamide
SMILESCC(C(=O)Nc1ccc(F)cc1)C1[C@H]2CC(n3cnc4cc(F)c(F)cc43)C[C@@H]12
InChIInChI=1S/C22H20F3N3O/c1-11(22(29)27-13-4-2-12(23)3-5-13)21-15-6-14(7-16(15)21)28-10-26-19-8-17(24)18(25)9-20(19)28/h2-5,8-11,14-16,21H,6-7H2,1H3,(H,27,29)/t11?,14?,15-,16+,21?
InChIKeyISDJTJRMGUFFFE-QEUIKMJUSA-N
XLogP4.93
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.42
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(1S,5R)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]-N-(4-fluorophenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,5R)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]-N-(4-fluorophenyl)propanamide?
The IUPAC name of 2-[(1S,5R)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]-N-(4-fluorophenyl)propanamide (CID 146318378) is 2-[(1S,5R)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]-N-(4-fluorophenyl)propanamide.
What is the SMILES notation for 2-[(1S,5R)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]-N-(4-fluorophenyl)propanamide?
The canonical SMILES for 2-[(1S,5R)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]-N-(4-fluorophenyl)propanamide is CC(C(=O)Nc1ccc(F)cc1)C1[C@H]2CC(n3cnc4cc(F)c(F)cc43)C[C@@H]12.
What is the InChIKey of 2-[(1S,5R)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]-N-(4-fluorophenyl)propanamide?
The InChIKey is ISDJTJRMGUFFFE-QEUIKMJUSA-N. The full InChI is InChI=1S/C22H20F3N3O/c1-11(22(29)27-13-4-2-12(23)3-5-13)21-15-6-14(7-16(15)21)28-10-26-19-8-17(24)18(25)9-20(19)28/h2-5,8-11,14-16,21H,6-7H2,1H3,(H,27,29)/t11?,14?,15-,16+,21?.
What are the key properties of 2-[(1S,5R)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]-N-(4-fluorophenyl)propanamide?
2-[(1S,5R)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]-N-(4-fluorophenyl)propanamide has a molecular weight of 399.42 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,5R)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]-N-(4-fluorophenyl)propanamide is sourced from PubChem (CID 146318378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).