N-[[(1S,2R,3S,4S)-4-hydroxy-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]-3-methyl-2-phenylimidazole-4-carboxamide;dihydrochloride

C24H28Cl2N4O2 — CID 163341349

IUPACN-[[(1S,2R,3S,4S)-4-hydroxy-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]-3-methyl-2-phenylimidazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.Cn1c(C(=O)NC[C@H]2[C@H](c3ccccc3)[C@@]23CNC[C@H]3O)cnc1-c1ccccc1
InChIInChI=1S/C24H26N4O2.2ClH/c1-28-19(13-26-22(28)17-10-6-3-7-11-17)23(30)27-12-18-21(16-8-4-2-5-9-16)24(18)15-25-14-20(24)29;;/h2-11,13,18,20-21,25,29H,12,14-15H2,1H3,(H,27,30);2*1H/t18-,20+,21-,24-;;/m0../s1
InChIKeyZOQJBQVZZMBWMF-XQWXXKRXSA-N
MW475.42 g/mol
LogP3.02
Rot. Bonds5

About N-[[(1S,2R,3S,4S)-4-hydroxy-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]-3-methyl-2-phenylimidazole-4-carboxamide;dihydrochloride

N-[[(1S,2R,3S,4S)-4-hydroxy-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]-3-methyl-2-phenylimidazole-4-carboxamide;dihydrochloride (PubChem CID 163341349) has the molecular formula C24H28Cl2N4O2 and a molecular weight of 475.42 g/mol. Its IUPAC name is N-[[(1S,2R,3S,4S)-4-hydroxy-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]-3-methyl-2-phenylimidazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[[(1S,2R,3S,4S)-4-hydroxy-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]-3-methyl-2-phenylimidazole-4-carboxamide;dihydrochloride
PubChem CID163341349
Molecular FormulaC24H28Cl2N4O2
Molecular Weight475.42 g/mol
Exact Mass474.16
IUPAC NameN-[[(1S,2R,3S,4S)-4-hydroxy-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]-3-methyl-2-phenylimidazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.Cn1c(C(=O)NC[C@H]2[C@H](c3ccccc3)[C@@]23CNC[C@H]3O)cnc1-c1ccccc1
InChIInChI=1S/C24H26N4O2.2ClH/c1-28-19(13-26-22(28)17-10-6-3-7-11-17)23(30)27-12-18-21(16-8-4-2-5-9-16)24(18)15-25-14-20(24)29;;/h2-11,13,18,20-21,25,29H,12,14-15H2,1H3,(H,27,30);2*1H/t18-,20+,21-,24-;;/m0../s1
InChIKeyZOQJBQVZZMBWMF-XQWXXKRXSA-N
XLogP3.02
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.42
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[[(1S,2R,3S,4S)-4-hydroxy-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]-3-methyl-2-phenylimidazole-4-carboxamide;dihydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[(1S,2R,3S,4S)-4-hydroxy-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]-3-methyl-2-phenylimidazole-4-carboxamide;dihydrochloride?
The IUPAC name of N-[[(1S,2R,3S,4S)-4-hydroxy-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]-3-methyl-2-phenylimidazole-4-carboxamide;dihydrochloride (CID 163341349) is N-[[(1S,2R,3S,4S)-4-hydroxy-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]-3-methyl-2-phenylimidazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[[(1S,2R,3S,4S)-4-hydroxy-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]-3-methyl-2-phenylimidazole-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[[(1S,2R,3S,4S)-4-hydroxy-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]-3-methyl-2-phenylimidazole-4-carboxamide;dihydrochloride is Cl.Cl.Cn1c(C(=O)NC[C@H]2[C@H](c3ccccc3)[C@@]23CNC[C@H]3O)cnc1-c1ccccc1.
What is the InChIKey of N-[[(1S,2R,3S,4S)-4-hydroxy-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]-3-methyl-2-phenylimidazole-4-carboxamide;dihydrochloride?
The InChIKey is ZOQJBQVZZMBWMF-XQWXXKRXSA-N. The full InChI is InChI=1S/C24H26N4O2.2ClH/c1-28-19(13-26-22(28)17-10-6-3-7-11-17)23(30)27-12-18-21(16-8-4-2-5-9-16)24(18)15-25-14-20(24)29;;/h2-11,13,18,20-21,25,29H,12,14-15H2,1H3,(H,27,30);2*1H/t18-,20+,21-,24-;;/m0../s1.
What are the key properties of N-[[(1S,2R,3S,4S)-4-hydroxy-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]-3-methyl-2-phenylimidazole-4-carboxamide;dihydrochloride?
N-[[(1S,2R,3S,4S)-4-hydroxy-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]-3-methyl-2-phenylimidazole-4-carboxamide;dihydrochloride has a molecular weight of 475.42 g/mol, XLogP of 3.02, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,2R,3S,4S)-4-hydroxy-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]-3-methyl-2-phenylimidazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 163341349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).