2-[(4-imidazol-1-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride

C17H23ClN4 — CID 120908652

IUPAC2-[(4-imidazol-1-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
SMILESCl.c1cn(-c2ccc(CN3CCC4(CCNC4)C3)cc2)cn1
InChIInChI=1S/C17H22N4.ClH/c1-3-16(21-10-8-19-14-21)4-2-15(1)11-20-9-6-17(13-20)5-7-18-12-17;/h1-4,8,10,14,18H,5-7,9,11-13H2;1H
InChIKeyGQYQNCFXTDBVQK-UHFFFAOYSA-N
MW318.85 g/mol
LogP2.48
Rot. Bonds3

About 2-[(4-imidazol-1-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride

2-[(4-imidazol-1-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride (PubChem CID 120908652) has the molecular formula C17H23ClN4 and a molecular weight of 318.85 g/mol. Its IUPAC name is 2-[(4-imidazol-1-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride.

Molecular Properties

Compound Name2-[(4-imidazol-1-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
PubChem CID120908652
Molecular FormulaC17H23ClN4
Molecular Weight318.85 g/mol
Exact Mass318.16
IUPAC Name2-[(4-imidazol-1-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
SMILESCl.c1cn(-c2ccc(CN3CCC4(CCNC4)C3)cc2)cn1
InChIInChI=1S/C17H22N4.ClH/c1-3-16(21-10-8-19-14-21)4-2-15(1)11-20-9-6-17(13-20)5-7-18-12-17;/h1-4,8,10,14,18H,5-7,9,11-13H2;1H
InChIKeyGQYQNCFXTDBVQK-UHFFFAOYSA-N
XLogP2.48
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.85
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-2-benzyl-2,7-diazaspiro[4.4]nonane
CID 34178522
5-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-N-ethyl-N-methylpyridin-2-amine;hydrochloride
CID 120908695
2-[(4-pyrazin-2-yloxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908350
2-benzyl-2,7-diazaspiro[4.4]nonane;methanamine
CID 142253116
1-[(4-imidazol-1-ylphenyl)methyl]azocane
CID 167953311
2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120907713
2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120907742
2-[(3-fluoro-4-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908775
2-[(3-chloro-4-methoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908725
2-[[1-(4-bromophenyl)pyrazol-4-yl]methyl]-2,7-diazaspiro[4.4]nonane
CID 120908419
2-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908278
2-(1H-pyrazol-5-ylmethyl)-2,7-diazaspiro[4.4]nonane
CID 120908157

Frequently Asked Questions

What is the IUPAC name of 2-[(4-imidazol-1-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride?
The IUPAC name of 2-[(4-imidazol-1-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride (CID 120908652) is 2-[(4-imidazol-1-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride.
What is the SMILES notation for 2-[(4-imidazol-1-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride?
The canonical SMILES for 2-[(4-imidazol-1-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride is Cl.c1cn(-c2ccc(CN3CCC4(CCNC4)C3)cc2)cn1.
What is the InChIKey of 2-[(4-imidazol-1-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride?
The InChIKey is GQYQNCFXTDBVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4.ClH/c1-3-16(21-10-8-19-14-21)4-2-15(1)11-20-9-6-17(13-20)5-7-18-12-17;/h1-4,8,10,14,18H,5-7,9,11-13H2;1H.
What are the key properties of 2-[(4-imidazol-1-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride?
2-[(4-imidazol-1-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride has a molecular weight of 318.85 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-imidazol-1-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride is sourced from PubChem (CID 120908652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).