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

C21H21F2N5O — CID 146318388

IUPAC2-[(1S,5R)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]-N-(5-methylpyrazin-2-yl)propanamide
SMILESCc1cnc(NC(=O)C(C)C2[C@H]3CC(n4cnc5cc(F)c(F)cc54)C[C@@H]23)cn1
InChIInChI=1S/C21H21F2N5O/c1-10-7-25-19(8-24-10)27-21(29)11(2)20-13-3-12(4-14(13)20)28-9-26-17-5-15(22)16(23)6-18(17)28/h5-9,11-14,20H,3-4H2,1-2H3,(H,25,27,29)/t11?,12?,13-,14+,20?
InChIKeyUNXHOHOGLKMVIR-YNWLPGNUSA-N
MW397.43 g/mol
LogP3.88
Rot. Bonds4

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

2-[(1S,5R)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]-N-(5-methylpyrazin-2-yl)propanamide (PubChem CID 146318388) has the molecular formula C21H21F2N5O and a molecular weight of 397.43 g/mol. Its IUPAC name is 2-[(1S,5R)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]-N-(5-methylpyrazin-2-yl)propanamide.

Molecular Properties

Compound Name2-[(1S,5R)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]-N-(5-methylpyrazin-2-yl)propanamide
PubChem CID146318388
Molecular FormulaC21H21F2N5O
Molecular Weight397.43 g/mol
Exact Mass397.17
IUPAC Name2-[(1S,5R)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]-N-(5-methylpyrazin-2-yl)propanamide
SMILESCc1cnc(NC(=O)C(C)C2[C@H]3CC(n4cnc5cc(F)c(F)cc54)C[C@@H]23)cn1
InChIInChI=1S/C21H21F2N5O/c1-10-7-25-19(8-24-10)27-21(29)11(2)20-13-3-12(4-14(13)20)28-9-26-17-5-15(22)16(23)6-18(17)28/h5-9,11-14,20H,3-4H2,1-2H3,(H,25,27,29)/t11?,12?,13-,14+,20?
InChIKeyUNXHOHOGLKMVIR-YNWLPGNUSA-N
XLogP3.88
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(1S,5R)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]-N-(5-methylpyrazin-2-yl)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-(5-methylpyrazin-2-yl)propanamide?
The IUPAC name of 2-[(1S,5R)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]-N-(5-methylpyrazin-2-yl)propanamide (CID 146318388) is 2-[(1S,5R)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]-N-(5-methylpyrazin-2-yl)propanamide.
What is the SMILES notation for 2-[(1S,5R)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]-N-(5-methylpyrazin-2-yl)propanamide?
The canonical SMILES for 2-[(1S,5R)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]-N-(5-methylpyrazin-2-yl)propanamide is Cc1cnc(NC(=O)C(C)C2[C@H]3CC(n4cnc5cc(F)c(F)cc54)C[C@@H]23)cn1.
What is the InChIKey of 2-[(1S,5R)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]-N-(5-methylpyrazin-2-yl)propanamide?
The InChIKey is UNXHOHOGLKMVIR-YNWLPGNUSA-N. The full InChI is InChI=1S/C21H21F2N5O/c1-10-7-25-19(8-24-10)27-21(29)11(2)20-13-3-12(4-14(13)20)28-9-26-17-5-15(22)16(23)6-18(17)28/h5-9,11-14,20H,3-4H2,1-2H3,(H,25,27,29)/t11?,12?,13-,14+,20?.
What are the key properties of 2-[(1S,5R)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]-N-(5-methylpyrazin-2-yl)propanamide?
2-[(1S,5R)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]-N-(5-methylpyrazin-2-yl)propanamide has a molecular weight of 397.43 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 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-(5-methylpyrazin-2-yl)propanamide is sourced from PubChem (CID 146318388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).