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

C22H20ClF2N3O — CID 147575319

IUPAC(2R)-N-(4-chlorophenyl)-2-[(1S,5R)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]propanamide
SMILESC[C@@H](C(=O)Nc1ccc(Cl)cc1)C1[C@H]2CC(n3cnc4cc(F)c(F)cc43)C[C@@H]12
InChIInChI=1S/C22H20ClF2N3O/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?/m1/s1
InChIKeyFVIXADGZFNVGRM-YUBPNRHBSA-N
MW415.87 g/mol
LogP5.44
Rot. Bonds4

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

(2R)-N-(4-chlorophenyl)-2-[(1S,5R)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]propanamide (PubChem CID 147575319) has the molecular formula C22H20ClF2N3O and a molecular weight of 415.87 g/mol. Its IUPAC name is (2R)-N-(4-chlorophenyl)-2-[(1S,5R)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]propanamide.

Molecular Properties

Compound Name(2R)-N-(4-chlorophenyl)-2-[(1S,5R)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]propanamide
PubChem CID147575319
Molecular FormulaC22H20ClF2N3O
Molecular Weight415.87 g/mol
Exact Mass415.13
IUPAC Name(2R)-N-(4-chlorophenyl)-2-[(1S,5R)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]propanamide
SMILESC[C@@H](C(=O)Nc1ccc(Cl)cc1)C1[C@H]2CC(n3cnc4cc(F)c(F)cc43)C[C@@H]12
InChIInChI=1S/C22H20ClF2N3O/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?/m1/s1
InChIKeyFVIXADGZFNVGRM-YUBPNRHBSA-N
XLogP5.44
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.87
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-[2-(benzimidazol-1-yl)acetyl]-3-fluoroanilino)-N-cyclopentyl-2-(2-methylphenyl)acetamide
CID 56832449
1-[(4-chloro-2-fluorophenyl)methyl]-N-[(1R)-1-phenylpropyl]benzimidazole-5-carboxamide
CID 44132174
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
(+)-2-(2-(1H-Benzo[d]imidazol-1-yl)-N-(3-fluorophenyl)acetamido)-N-cyclopentyl-2-o-tolylacetamide
CID 124604738
(2s)-2-[2-(4-Chlorophenyl)-5,6-Difluoro-1h-Benzimidazol-1-Yl]-2-Cyclohexyl-N-Phenylacetamide
CID 126962409
(2s)-2-[2-(4-Chlorophenyl)-5,6-Difluoro-1h-Benzimidazol-1-Yl]-2-Cyclohexyl-N-(2-Fluorophenyl)acetamide
CID 126962412
4-chloro-N-[1-[(1R,5S)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]ethyl]benzamide
CID 164615918
N-{3-[1-(2-chlorobenzyl)-1H-benzimidazol-2-yl]propyl}cyclohexanecarboxamide
CID 16012660
1-[(3-chloro-4-fluorophenyl)methyl]-N-[(1R)-1-phenylpropyl]benzimidazole-5-carboxamide
CID 44132346
(S)-2-(6-chloro-2-(4-chlorophenyl)-5-fluoro-1H-benzo[d]imidazol-1-yl)-N,2-dicyclohexylacetamide
CID 50938548
(S)-2-(2-(4-chlorophenyl)-5,6-difluoro-1H-benzo[d]imidazol-1-yl)-N,2-dicyclohexylacetamide
CID 53323639
N-(4-chlorophenyl)-2-[2-(4-fluorophenyl)benzimidazol-1-yl]acetamide
CID 57398357

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-chlorophenyl)-2-[(1S,5R)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]propanamide?
The IUPAC name of (2R)-N-(4-chlorophenyl)-2-[(1S,5R)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]propanamide (CID 147575319) is (2R)-N-(4-chlorophenyl)-2-[(1S,5R)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]propanamide.
What is the SMILES notation for (2R)-N-(4-chlorophenyl)-2-[(1S,5R)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]propanamide?
The canonical SMILES for (2R)-N-(4-chlorophenyl)-2-[(1S,5R)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]propanamide is C[C@@H](C(=O)Nc1ccc(Cl)cc1)C1[C@H]2CC(n3cnc4cc(F)c(F)cc43)C[C@@H]12.
What is the InChIKey of (2R)-N-(4-chlorophenyl)-2-[(1S,5R)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]propanamide?
The InChIKey is FVIXADGZFNVGRM-YUBPNRHBSA-N. The full InChI is InChI=1S/C22H20ClF2N3O/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?/m1/s1.
What are the key properties of (2R)-N-(4-chlorophenyl)-2-[(1S,5R)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]propanamide?
(2R)-N-(4-chlorophenyl)-2-[(1S,5R)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]propanamide has a molecular weight of 415.87 g/mol, XLogP of 5.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-chlorophenyl)-2-[(1S,5R)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]propanamide is sourced from PubChem (CID 147575319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).