N-[(1-benzylimidazol-2-yl)methyl]-2-methyl-6-azaspiro[2.5]octane-2-carboxamide;dihydrochloride

C20H28Cl2N4O — CID 154921156

IUPACN-[(1-benzylimidazol-2-yl)methyl]-2-methyl-6-azaspiro[2.5]octane-2-carboxamide;dihydrochloride
SMILESCC1(C(=O)NCc2nccn2Cc2ccccc2)CC12CCNCC2.Cl.Cl
InChIInChI=1S/C20H26N4O.2ClH/c1-19(15-20(19)7-9-21-10-8-20)18(25)23-13-17-22-11-12-24(17)14-16-5-3-2-4-6-16;;/h2-6,11-12,21H,7-10,13-15H2,1H3,(H,23,25);2*1H
InChIKeyCTRNHXWOSZQLFH-UHFFFAOYSA-N
MW411.38 g/mol
LogP3.17
Rot. Bonds5

About N-[(1-benzylimidazol-2-yl)methyl]-2-methyl-6-azaspiro[2.5]octane-2-carboxamide;dihydrochloride

N-[(1-benzylimidazol-2-yl)methyl]-2-methyl-6-azaspiro[2.5]octane-2-carboxamide;dihydrochloride (PubChem CID 154921156) has the molecular formula C20H28Cl2N4O and a molecular weight of 411.38 g/mol. Its IUPAC name is N-[(1-benzylimidazol-2-yl)methyl]-2-methyl-6-azaspiro[2.5]octane-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[(1-benzylimidazol-2-yl)methyl]-2-methyl-6-azaspiro[2.5]octane-2-carboxamide;dihydrochloride
PubChem CID154921156
Molecular FormulaC20H28Cl2N4O
Molecular Weight411.38 g/mol
Exact Mass410.16
IUPAC NameN-[(1-benzylimidazol-2-yl)methyl]-2-methyl-6-azaspiro[2.5]octane-2-carboxamide;dihydrochloride
SMILESCC1(C(=O)NCc2nccn2Cc2ccccc2)CC12CCNCC2.Cl.Cl
InChIInChI=1S/C20H26N4O.2ClH/c1-19(15-20(19)7-9-21-10-8-20)18(25)23-13-17-22-11-12-24(17)14-16-5-3-2-4-6-16;;/h2-6,11-12,21H,7-10,13-15H2,1H3,(H,23,25);2*1H
InChIKeyCTRNHXWOSZQLFH-UHFFFAOYSA-N
XLogP3.17
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.38
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1-benzylimidazol-2-yl)methyl]-2-methyl-6-azaspiro[2.5]octane-2-carboxamide;dihydrochloride with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylimidazol-2-yl)methyl]-2-methyl-6-azaspiro[2.5]octane-2-carboxamide;dihydrochloride?
The IUPAC name of N-[(1-benzylimidazol-2-yl)methyl]-2-methyl-6-azaspiro[2.5]octane-2-carboxamide;dihydrochloride (CID 154921156) is N-[(1-benzylimidazol-2-yl)methyl]-2-methyl-6-azaspiro[2.5]octane-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[(1-benzylimidazol-2-yl)methyl]-2-methyl-6-azaspiro[2.5]octane-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[(1-benzylimidazol-2-yl)methyl]-2-methyl-6-azaspiro[2.5]octane-2-carboxamide;dihydrochloride is CC1(C(=O)NCc2nccn2Cc2ccccc2)CC12CCNCC2.Cl.Cl.
What is the InChIKey of N-[(1-benzylimidazol-2-yl)methyl]-2-methyl-6-azaspiro[2.5]octane-2-carboxamide;dihydrochloride?
The InChIKey is CTRNHXWOSZQLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O.2ClH/c1-19(15-20(19)7-9-21-10-8-20)18(25)23-13-17-22-11-12-24(17)14-16-5-3-2-4-6-16;;/h2-6,11-12,21H,7-10,13-15H2,1H3,(H,23,25);2*1H.
What are the key properties of N-[(1-benzylimidazol-2-yl)methyl]-2-methyl-6-azaspiro[2.5]octane-2-carboxamide;dihydrochloride?
N-[(1-benzylimidazol-2-yl)methyl]-2-methyl-6-azaspiro[2.5]octane-2-carboxamide;dihydrochloride has a molecular weight of 411.38 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylimidazol-2-yl)methyl]-2-methyl-6-azaspiro[2.5]octane-2-carboxamide;dihydrochloride is sourced from PubChem (CID 154921156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).