4-chloro-N-[1-[(1R,5S)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]ethyl]benzamide

C22H20ClF2N3O — CID 164615918

IUPAC4-chloro-N-[1-[(1R,5S)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]ethyl]benzamide
SMILESCC(NC(=O)c1ccc(Cl)cc1)C1[C@H]2CC(n3cnc4cc(F)c(F)cc43)C[C@@H]12
InChIInChI=1S/C22H20ClF2N3O/c1-11(27-22(29)12-2-4-13(23)5-3-12)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?
InChIKeyCAPFNEJTKCIVRA-QEUIKMJUSA-N
MW415.87 g/mol
LogP4.98
Rot. Bonds4

About 4-chloro-N-[1-[(1R,5S)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]ethyl]benzamide

4-chloro-N-[1-[(1R,5S)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]ethyl]benzamide (PubChem CID 164615918) has the molecular formula C22H20ClF2N3O and a molecular weight of 415.87 g/mol. Its IUPAC name is 4-chloro-N-[1-[(1R,5S)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[1-[(1R,5S)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]ethyl]benzamide
PubChem CID164615918
Molecular FormulaC22H20ClF2N3O
Molecular Weight415.87 g/mol
Exact Mass415.13
IUPAC Name4-chloro-N-[1-[(1R,5S)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]ethyl]benzamide
SMILESCC(NC(=O)c1ccc(Cl)cc1)C1[C@H]2CC(n3cnc4cc(F)c(F)cc43)C[C@@H]12
InChIInChI=1S/C22H20ClF2N3O/c1-11(27-22(29)12-2-4-13(23)5-3-12)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?
InChIKeyCAPFNEJTKCIVRA-QEUIKMJUSA-N
XLogP4.98
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.87
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-N-[1-[(1R,5S)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]ethyl]benzamide with MolForge

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Related Compounds

4-chloro-N-[(1R)-1-[(1R,5S)-3-(6-fluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]propyl]benzamide;4-chloro-N-[(1S)-1-[(1R,5S)-3-(6-fluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]propyl]benzamide;4-chloro-N-[1-[(1R,5S)-3-(6-fluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]propyl]benzamide;methyl thiohypofluorite
CID 160914231
4-chloro-N-[1-[(5S)-3-imidazo[4,5-c]pyridin-1-yl-6-bicyclo[3.1.0]hexanyl]propyl]benzamide
CID 166839269
2-[(1S,5R)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]-N-(4-fluorobut-1-en-2-yl)propanamide
CID 156541898
2-[(1R,5S)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]-N-[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]propanamide
CID 146318469
N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-[(1S,5R)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]propanamide
CID 146318387
2-[(1S,5R)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]-N-[4-(1-hydroxyethyl)-2-bicyclo[2.2.0]hexanyl]propanamide
CID 156541888
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
1-(4-chlorophenyl)-N-[[(1R,5S)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]methyl]-2,2,2-trifluoroethanamine
CID 146318337
methyl 2-[4-(5,6-difluorobenzimidazol-1-yl)-2-methylcyclopentyl]propanoate
CID 146318411
2-[4-(5,6-difluorobenzimidazol-1-yl)-2-methylcyclopentyl]-N-(5-fluoro-2-pyridinyl)propanamide
CID 146318333
4-chloro-N-[1-[(5S)-3-(4-phenylimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]propyl]benzamide
CID 166839276
2-[(1S,5R)-3-(5,6-difluorobenzimidazol-1-yl)-6-methyl-6-bicyclo[3.1.0]hexanyl]-N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)propanamide
CID 153395492

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-[(1R,5S)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]ethyl]benzamide?
The IUPAC name of 4-chloro-N-[1-[(1R,5S)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]ethyl]benzamide (CID 164615918) is 4-chloro-N-[1-[(1R,5S)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]ethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[1-[(1R,5S)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]ethyl]benzamide?
The canonical SMILES for 4-chloro-N-[1-[(1R,5S)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]ethyl]benzamide is CC(NC(=O)c1ccc(Cl)cc1)C1[C@H]2CC(n3cnc4cc(F)c(F)cc43)C[C@@H]12.
What is the InChIKey of 4-chloro-N-[1-[(1R,5S)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]ethyl]benzamide?
The InChIKey is CAPFNEJTKCIVRA-QEUIKMJUSA-N. The full InChI is InChI=1S/C22H20ClF2N3O/c1-11(27-22(29)12-2-4-13(23)5-3-12)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 4-chloro-N-[1-[(1R,5S)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]ethyl]benzamide?
4-chloro-N-[1-[(1R,5S)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]ethyl]benzamide has a molecular weight of 415.87 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-[(1R,5S)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]ethyl]benzamide is sourced from PubChem (CID 164615918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).