2-[(1R,5S)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]-N-[4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]propanamide

C23H24F5N3O — CID 146318534

IUPAC2-[(1R,5S)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]-N-[4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]propanamide
SMILESCC(C(=O)NC1CC2(C(F)(F)F)CC1C2)C1[C@H]2CC(n3cnc4cc(F)c(F)cc43)C[C@@H]12
InChIInChI=1S/C23H24F5N3O/c1-10(21(32)30-18-8-22(23(26,27)28)6-11(18)7-22)20-13-2-12(3-14(13)20)31-9-29-17-4-15(24)16(25)5-19(17)31/h4-5,9-14,18,20H,2-3,6-8H2,1H3,(H,30,32)/t10?,11?,12?,13-,14+,18?,20?,22?
InChIKeyXLEFQRNFLDJMAU-GMQJINHJSA-N
MW453.46 g/mol
LogP4.99
Rot. Bonds4

About 2-[(1R,5S)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]-N-[4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]propanamide

2-[(1R,5S)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]-N-[4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]propanamide (PubChem CID 146318534) has the molecular formula C23H24F5N3O and a molecular weight of 453.46 g/mol. Its IUPAC name is 2-[(1R,5S)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]-N-[4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]propanamide.

Molecular Properties

Compound Name2-[(1R,5S)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]-N-[4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]propanamide
PubChem CID146318534
Molecular FormulaC23H24F5N3O
Molecular Weight453.46 g/mol
Exact Mass453.18
IUPAC Name2-[(1R,5S)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]-N-[4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]propanamide
SMILESCC(C(=O)NC1CC2(C(F)(F)F)CC1C2)C1[C@H]2CC(n3cnc4cc(F)c(F)cc43)C[C@@H]12
InChIInChI=1S/C23H24F5N3O/c1-10(21(32)30-18-8-22(23(26,27)28)6-11(18)7-22)20-13-2-12(3-14(13)20)31-9-29-17-4-15(24)16(25)5-19(17)31/h4-5,9-14,18,20H,2-3,6-8H2,1H3,(H,30,32)/t10?,11?,12?,13-,14+,18?,20?,22?
InChIKeyXLEFQRNFLDJMAU-GMQJINHJSA-N
XLogP4.99
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.46
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(1R,5S)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]-N-[4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,5S)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]-N-[4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]propanamide?
The IUPAC name of 2-[(1R,5S)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]-N-[4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]propanamide (CID 146318534) is 2-[(1R,5S)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]-N-[4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]propanamide.
What is the SMILES notation for 2-[(1R,5S)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]-N-[4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]propanamide?
The canonical SMILES for 2-[(1R,5S)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]-N-[4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]propanamide is CC(C(=O)NC1CC2(C(F)(F)F)CC1C2)C1[C@H]2CC(n3cnc4cc(F)c(F)cc43)C[C@@H]12.
What is the InChIKey of 2-[(1R,5S)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]-N-[4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]propanamide?
The InChIKey is XLEFQRNFLDJMAU-GMQJINHJSA-N. The full InChI is InChI=1S/C23H24F5N3O/c1-10(21(32)30-18-8-22(23(26,27)28)6-11(18)7-22)20-13-2-12(3-14(13)20)31-9-29-17-4-15(24)16(25)5-19(17)31/h4-5,9-14,18,20H,2-3,6-8H2,1H3,(H,30,32)/t10?,11?,12?,13-,14+,18?,20?,22?.
What are the key properties of 2-[(1R,5S)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]-N-[4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]propanamide?
2-[(1R,5S)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]-N-[4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]propanamide has a molecular weight of 453.46 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,5S)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]-N-[4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]propanamide is sourced from PubChem (CID 146318534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).