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

C29H29N7 — CID 137211925

IUPAC[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-4-[4-[4-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-5-yl]methanimine
SMILES[H]/N=C/c1[nH]c([C@@H]2C[C@H]3C[C@H]3N2)nc1-c1ccc(-c2ccc(-c3cnc([C@@H]4C[C@H]5C[C@H]5N4)[nH]3)cc2)cc1
InChIInChI=1S/C29H29N7/c30-13-25-27(36-29(34-25)24-12-20-10-22(20)33-24)18-7-3-16(4-8-18)15-1-5-17(6-2-15)26-14-31-28(35-26)23-11-19-9-21(19)32-23/h1-8,13-14,19-24,30,32-33H,9-12H2,(H,31,35)(H,34,36)/b30-13+/t19-,20-,21-,22-,23+,24+/m1/s1
InChIKeyQOHYYAFMKZQHCD-HPXIFESJSA-N
MW475.60 g/mol
LogP4.98
Rot. Bonds6

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

[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-4-[4-[4-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-5-yl]methanimine (PubChem CID 137211925) has the molecular formula C29H29N7 and a molecular weight of 475.60 g/mol. Its IUPAC name is [2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-4-[4-[4-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-5-yl]methanimine.

Molecular Properties

Compound Name[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-4-[4-[4-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-5-yl]methanimine
PubChem CID137211925
Molecular FormulaC29H29N7
Molecular Weight475.60 g/mol
Exact Mass475.25
IUPAC Name[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-4-[4-[4-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-5-yl]methanimine
SMILES[H]/N=C/c1[nH]c([C@@H]2C[C@H]3C[C@H]3N2)nc1-c1ccc(-c2ccc(-c3cnc([C@@H]4C[C@H]5C[C@H]5N4)[nH]3)cc2)cc1
InChIInChI=1S/C29H29N7/c30-13-25-27(36-29(34-25)24-12-20-10-22(20)33-24)18-7-3-16(4-8-18)15-1-5-17(6-2-15)26-14-31-28(35-26)23-11-19-9-21(19)32-23/h1-8,13-14,19-24,30,32-33H,9-12H2,(H,31,35)(H,34,36)/b30-13+/t19-,20-,21-,22-,23+,24+/m1/s1
InChIKeyQOHYYAFMKZQHCD-HPXIFESJSA-N
XLogP4.98
TPSA105.27 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.60
LogP ≤ 54.98
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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

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Related Compounds

3-[5-[4-[4-[2-(2-azabicyclo[3.1.0]hexan-3-yl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane
CID 24899595
3-[4-[4-[4-[2-(2-azabicyclo[3.1.0]hexan-3-yl)-1H-imidazol-5-yl]phenyl]phenyl]-5-methyl-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane
CID 123350976
(1R,3S)-3-[5-[4-[6-[2-[(1R,3S)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane
CID 154194213
(1S,3S,5S)-3-[5-[4-[6-[2-[(1S,3S,5S)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane
CID 66982445
(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
(3S)-3-[4-[4-[4-[2-[(2S,4R,5R)-4,5-dimethylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-5-methyl-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane
CID 129022563
2-[(3S)-2-azabicyclo[3.1.0]hexan-3-yl]-5-[4-[4-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole-4-carbonitrile
CID 70673417
(3S)-3-[4-[4-[4-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-5-fluoro-1H-imidazol-4-yl]phenyl]phenyl]-5-fluoro-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane
CID 129022355
(1R,3S,5R)-3-[5-[6-[2-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]ethynyl]naphthalen-2-yl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane
CID 66982103
3-[5-[4-[6-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylic acid
CID 66982222
5-chloro-2-[(2S,5S)-5-methylpyrrolidin-2-yl]-4-[4-[4-[2-[(2S,5S)-5-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole
CID 70673370
methyl N-[(2S)-1-[(1R,3S,5R)-3-[5-[6-[4-[2-[(1R,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 123329634

Frequently Asked Questions

What is the IUPAC name of [2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-4-[4-[4-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-5-yl]methanimine?
The IUPAC name of [2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-4-[4-[4-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-5-yl]methanimine (CID 137211925) is [2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-4-[4-[4-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-5-yl]methanimine.
What is the SMILES notation for [2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-4-[4-[4-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-5-yl]methanimine?
The canonical SMILES for [2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-4-[4-[4-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-5-yl]methanimine is [H]/N=C/c1[nH]c([C@@H]2C[C@H]3C[C@H]3N2)nc1-c1ccc(-c2ccc(-c3cnc([C@@H]4C[C@H]5C[C@H]5N4)[nH]3)cc2)cc1.
What is the InChIKey of [2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-4-[4-[4-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-5-yl]methanimine?
The InChIKey is QOHYYAFMKZQHCD-HPXIFESJSA-N. The full InChI is InChI=1S/C29H29N7/c30-13-25-27(36-29(34-25)24-12-20-10-22(20)33-24)18-7-3-16(4-8-18)15-1-5-17(6-2-15)26-14-31-28(35-26)23-11-19-9-21(19)32-23/h1-8,13-14,19-24,30,32-33H,9-12H2,(H,31,35)(H,34,36)/b30-13+/t19-,20-,21-,22-,23+,24+/m1/s1.
What are the key properties of [2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-4-[4-[4-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-5-yl]methanimine?
[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-4-[4-[4-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-5-yl]methanimine has a molecular weight of 475.60 g/mol, XLogP of 4.98, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-4-[4-[4-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-5-yl]methanimine is sourced from PubChem (CID 137211925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).