(1R,3S,5R)-3-[5-[4-[(E)-2-[4-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]ethenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane

C30H30N6 — CID 58209601

IUPAC(1R,3S,5R)-3-[5-[4-[(E)-2-[4-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]ethenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane
SMILESC(=C/c1ccc(-c2cnc([C@@H]3C[C@H]4C[C@H]4N3)[nH]2)cc1)\c1ccc(-c2cnc([C@@H]3C[C@H]4C[C@H]4N3)[nH]2)cc1
InChIInChI=1S/C30H30N6/c1(17-3-7-19(8-4-17)27-15-31-29(35-27)25-13-21-11-23(21)33-25)2-18-5-9-20(10-6-18)28-16-32-30(36-28)26-14-22-12-24(22)34-26/h1-10,15-16,21-26,33-34H,11-14H2,(H,31,35)(H,32,36)/b2-1+/t21-,22-,23-,24-,25+,26+/m1/s1
InChIKeyOZSRKKVWWOLBFM-YINJDPGFSA-N
MW474.61 g/mol
LogP5.48
Rot. Bonds6

About (1R,3S,5R)-3-[5-[4-[(E)-2-[4-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]ethenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane

(1R,3S,5R)-3-[5-[4-[(E)-2-[4-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]ethenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane (PubChem CID 58209601) has the molecular formula C30H30N6 and a molecular weight of 474.61 g/mol. Its IUPAC name is (1R,3S,5R)-3-[5-[4-[(E)-2-[4-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]ethenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1R,3S,5R)-3-[5-[4-[(E)-2-[4-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]ethenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane
PubChem CID58209601
Molecular FormulaC30H30N6
Molecular Weight474.61 g/mol
Exact Mass474.25
IUPAC Name(1R,3S,5R)-3-[5-[4-[(E)-2-[4-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]ethenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane
SMILESC(=C/c1ccc(-c2cnc([C@@H]3C[C@H]4C[C@H]4N3)[nH]2)cc1)\c1ccc(-c2cnc([C@@H]3C[C@H]4C[C@H]4N3)[nH]2)cc1
InChIInChI=1S/C30H30N6/c1(17-3-7-19(8-4-17)27-15-31-29(35-27)25-13-21-11-23(21)33-25)2-18-5-9-20(10-6-18)28-16-32-30(36-28)26-14-22-12-24(22)34-26/h1-10,15-16,21-26,33-34H,11-14H2,(H,31,35)(H,32,36)/b2-1+/t21-,22-,23-,24-,25+,26+/m1/s1
InChIKeyOZSRKKVWWOLBFM-YINJDPGFSA-N
XLogP5.48
TPSA81.42 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.61
LogP ≤ 55.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze (1R,3S,5R)-3-[5-[4-[(E)-2-[4-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]ethenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,3S,5R)-3-[5-[4-[(E)-2-[4-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]ethenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane?
The IUPAC name of (1R,3S,5R)-3-[5-[4-[(E)-2-[4-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]ethenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane (CID 58209601) is (1R,3S,5R)-3-[5-[4-[(E)-2-[4-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]ethenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane.
What is the SMILES notation for (1R,3S,5R)-3-[5-[4-[(E)-2-[4-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]ethenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane?
The canonical SMILES for (1R,3S,5R)-3-[5-[4-[(E)-2-[4-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]ethenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane is C(=C/c1ccc(-c2cnc([C@@H]3C[C@H]4C[C@H]4N3)[nH]2)cc1)\c1ccc(-c2cnc([C@@H]3C[C@H]4C[C@H]4N3)[nH]2)cc1.
What is the InChIKey of (1R,3S,5R)-3-[5-[4-[(E)-2-[4-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]ethenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane?
The InChIKey is OZSRKKVWWOLBFM-YINJDPGFSA-N. The full InChI is InChI=1S/C30H30N6/c1(17-3-7-19(8-4-17)27-15-31-29(35-27)25-13-21-11-23(21)33-25)2-18-5-9-20(10-6-18)28-16-32-30(36-28)26-14-22-12-24(22)34-26/h1-10,15-16,21-26,33-34H,11-14H2,(H,31,35)(H,32,36)/b2-1+/t21-,22-,23-,24-,25+,26+/m1/s1.
What are the key properties of (1R,3S,5R)-3-[5-[4-[(E)-2-[4-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]ethenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane?
(1R,3S,5R)-3-[5-[4-[(E)-2-[4-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]ethenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane has a molecular weight of 474.61 g/mol, XLogP of 5.48, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,5R)-3-[5-[4-[(E)-2-[4-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]ethenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 58209601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).