2-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-2,8-diazaspiro[4.5]decane;dihydrochloride

C19H28Cl2N4O — CID 154892118

IUPAC2-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-2,8-diazaspiro[4.5]decane;dihydrochloride
SMILESCOc1ccc(-n2ccnc2CN2CCC3(CCNCC3)C2)cc1.Cl.Cl
InChIInChI=1S/C19H26N4O.2ClH/c1-24-17-4-2-16(3-5-17)23-13-11-21-18(23)14-22-12-8-19(15-22)6-9-20-10-7-19;;/h2-5,11,13,20H,6-10,12,14-15H2,1H3;2*1H
InChIKeyYIQZVRLEIYFQQI-UHFFFAOYSA-N
MW399.37 g/mol
LogP3.30
Rot. Bonds4

About 2-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-2,8-diazaspiro[4.5]decane;dihydrochloride

2-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-2,8-diazaspiro[4.5]decane;dihydrochloride (PubChem CID 154892118) has the molecular formula C19H28Cl2N4O and a molecular weight of 399.37 g/mol. Its IUPAC name is 2-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-2,8-diazaspiro[4.5]decane;dihydrochloride.

Molecular Properties

Compound Name2-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-2,8-diazaspiro[4.5]decane;dihydrochloride
PubChem CID154892118
Molecular FormulaC19H28Cl2N4O
Molecular Weight399.37 g/mol
Exact Mass398.16
IUPAC Name2-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-2,8-diazaspiro[4.5]decane;dihydrochloride
SMILESCOc1ccc(-n2ccnc2CN2CCC3(CCNCC3)C2)cc1.Cl.Cl
InChIInChI=1S/C19H26N4O.2ClH/c1-24-17-4-2-16(3-5-17)23-13-11-21-18(23)14-22-12-8-19(15-22)6-9-20-10-7-19;;/h2-5,11,13,20H,6-10,12,14-15H2,1H3;2*1H
InChIKeyYIQZVRLEIYFQQI-UHFFFAOYSA-N
XLogP3.30
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-2,8-diazaspiro[4.5]decane;dihydrochloride with MolForge

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Related Compounds

(3S)-3-amino-1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]pyrrolidine-3-carboxylic acid
CID 95220816
4-(imidazol-1-ylmethyl)-1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperidin-4-ol
CID 74242460
(3R,4R)-4-fluoro-1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]pyrrolidin-3-ol
CID 131948750
2-[(2,5-dimethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906879
2-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120907591
2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906859
2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decane
CID 120906860
2-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120907233
(6S,7R)-8-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-7-methyl-2,8-diazaspiro[5.5]undecan-1-one
CID 155915223
2-[(1-methylbenzimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane
CID 56717836
2-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908506
2-(quinolin-8-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 120907566

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-2,8-diazaspiro[4.5]decane;dihydrochloride?
The IUPAC name of 2-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-2,8-diazaspiro[4.5]decane;dihydrochloride (CID 154892118) is 2-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-2,8-diazaspiro[4.5]decane;dihydrochloride.
What is the SMILES notation for 2-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-2,8-diazaspiro[4.5]decane;dihydrochloride?
The canonical SMILES for 2-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-2,8-diazaspiro[4.5]decane;dihydrochloride is COc1ccc(-n2ccnc2CN2CCC3(CCNCC3)C2)cc1.Cl.Cl.
What is the InChIKey of 2-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-2,8-diazaspiro[4.5]decane;dihydrochloride?
The InChIKey is YIQZVRLEIYFQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O.2ClH/c1-24-17-4-2-16(3-5-17)23-13-11-21-18(23)14-22-12-8-19(15-22)6-9-20-10-7-19;;/h2-5,11,13,20H,6-10,12,14-15H2,1H3;2*1H.
What are the key properties of 2-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-2,8-diazaspiro[4.5]decane;dihydrochloride?
2-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-2,8-diazaspiro[4.5]decane;dihydrochloride has a molecular weight of 399.37 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-2,8-diazaspiro[4.5]decane;dihydrochloride is sourced from PubChem (CID 154892118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).