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

C20H19F4N5O — CID 156541874

IUPAC2-[(1S,5R)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]-N-[1-(difluoromethyl)pyrazol-4-yl]propanamide
SMILESCC(C(=O)Nc1cnn(C(F)F)c1)C1[C@H]2CC(n3cnc4cc(F)c(F)cc43)C[C@@H]12
InChIInChI=1S/C20H19F4N5O/c1-9(19(30)27-10-6-26-29(7-10)20(23)24)18-12-2-11(3-13(12)18)28-8-25-16-4-14(21)15(22)5-17(16)28/h4-9,11-13,18,20H,2-3H2,1H3,(H,27,30)/t9?,11?,12-,13+,18?
InChIKeyOYKQKDIMMKUWFC-HFLJARJXSA-N
MW421.40 g/mol
LogP4.38
Rot. Bonds5

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

2-[(1S,5R)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]-N-[1-(difluoromethyl)pyrazol-4-yl]propanamide (PubChem CID 156541874) has the molecular formula C20H19F4N5O and a molecular weight of 421.40 g/mol. Its IUPAC name is 2-[(1S,5R)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]-N-[1-(difluoromethyl)pyrazol-4-yl]propanamide.

Molecular Properties

Compound Name2-[(1S,5R)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]-N-[1-(difluoromethyl)pyrazol-4-yl]propanamide
PubChem CID156541874
Molecular FormulaC20H19F4N5O
Molecular Weight421.40 g/mol
Exact Mass421.15
IUPAC Name2-[(1S,5R)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]-N-[1-(difluoromethyl)pyrazol-4-yl]propanamide
SMILESCC(C(=O)Nc1cnn(C(F)F)c1)C1[C@H]2CC(n3cnc4cc(F)c(F)cc43)C[C@@H]12
InChIInChI=1S/C20H19F4N5O/c1-9(19(30)27-10-6-26-29(7-10)20(23)24)18-12-2-11(3-13(12)18)28-8-25-16-4-14(21)15(22)5-17(16)28/h4-9,11-13,18,20H,2-3H2,1H3,(H,27,30)/t9?,11?,12-,13+,18?
InChIKeyOYKQKDIMMKUWFC-HFLJARJXSA-N
XLogP4.38
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.40
LogP ≤ 54.38
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-[1-(difluoromethyl)pyrazol-4-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-[1-(difluoromethyl)pyrazol-4-yl]propanamide?
The IUPAC name of 2-[(1S,5R)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]-N-[1-(difluoromethyl)pyrazol-4-yl]propanamide (CID 156541874) is 2-[(1S,5R)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]-N-[1-(difluoromethyl)pyrazol-4-yl]propanamide.
What is the SMILES notation for 2-[(1S,5R)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]-N-[1-(difluoromethyl)pyrazol-4-yl]propanamide?
The canonical SMILES for 2-[(1S,5R)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]-N-[1-(difluoromethyl)pyrazol-4-yl]propanamide is CC(C(=O)Nc1cnn(C(F)F)c1)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-[1-(difluoromethyl)pyrazol-4-yl]propanamide?
The InChIKey is OYKQKDIMMKUWFC-HFLJARJXSA-N. The full InChI is InChI=1S/C20H19F4N5O/c1-9(19(30)27-10-6-26-29(7-10)20(23)24)18-12-2-11(3-13(12)18)28-8-25-16-4-14(21)15(22)5-17(16)28/h4-9,11-13,18,20H,2-3H2,1H3,(H,27,30)/t9?,11?,12-,13+,18?.
What are the key properties of 2-[(1S,5R)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]-N-[1-(difluoromethyl)pyrazol-4-yl]propanamide?
2-[(1S,5R)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]-N-[1-(difluoromethyl)pyrazol-4-yl]propanamide has a molecular weight of 421.40 g/mol, XLogP of 4.38, 5 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-[1-(difluoromethyl)pyrazol-4-yl]propanamide is sourced from PubChem (CID 156541874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).