[9-[(2,3-dimethylimidazol-4-yl)methyl]-3-(furan-3-ylmethyl)-3,9-diazaspiro[5.5]undecan-5-yl]methanol

C21H32N4O2 — CID 74250013

IUPAC[9-[(2,3-dimethylimidazol-4-yl)methyl]-3-(furan-3-ylmethyl)-3,9-diazaspiro[5.5]undecan-5-yl]methanol
SMILESCc1ncc(CN2CCC3(CC2)CCN(Cc2ccoc2)CC3CO)n1C
InChIInChI=1S/C21H32N4O2/c1-17-22-11-20(23(17)2)14-24-7-4-21(5-8-24)6-9-25(13-19(21)15-26)12-18-3-10-27-16-18/h3,10-11,16,19,26H,4-9,12-15H2,1-2H3
InChIKeyZNRROXCQAUGIMK-UHFFFAOYSA-N
MW372.51 g/mol
LogP2.42
Rot. Bonds5

About [9-[(2,3-dimethylimidazol-4-yl)methyl]-3-(furan-3-ylmethyl)-3,9-diazaspiro[5.5]undecan-5-yl]methanol

[9-[(2,3-dimethylimidazol-4-yl)methyl]-3-(furan-3-ylmethyl)-3,9-diazaspiro[5.5]undecan-5-yl]methanol (PubChem CID 74250013) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is [9-[(2,3-dimethylimidazol-4-yl)methyl]-3-(furan-3-ylmethyl)-3,9-diazaspiro[5.5]undecan-5-yl]methanol.

Molecular Properties

Compound Name[9-[(2,3-dimethylimidazol-4-yl)methyl]-3-(furan-3-ylmethyl)-3,9-diazaspiro[5.5]undecan-5-yl]methanol
PubChem CID74250013
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC Name[9-[(2,3-dimethylimidazol-4-yl)methyl]-3-(furan-3-ylmethyl)-3,9-diazaspiro[5.5]undecan-5-yl]methanol
SMILESCc1ncc(CN2CCC3(CC2)CCN(Cc2ccoc2)CC3CO)n1C
InChIInChI=1S/C21H32N4O2/c1-17-22-11-20(23(17)2)14-24-7-4-21(5-8-24)6-9-25(13-19(21)15-26)12-18-3-10-27-16-18/h3,10-11,16,19,26H,4-9,12-15H2,1-2H3
InChIKeyZNRROXCQAUGIMK-UHFFFAOYSA-N
XLogP2.42
TPSA57.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

furan-3-yl-[3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 97406822
2-(Furan-3-ylmethyl)-8-[(1-methylimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane
CID 97449413
5-(furan-3-ylmethyl)-1-methyl-7-(2-methylpropoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 118739313
3-Furyl[4-(hydroxymethyl)-2-(4-pyrimidinyl)-2,8-diazaspiro[4.5]dec-8-yl]methanone
CID 91921896
1-(3-furylmethyl)-4-[2-(2-methyl-1H-imidazol-1-yl)ethyl]piperidine
CID 74244005
(furan-3-yl)(4-{[1-(3-methoxypropyl)-5-methyl-1H-imidazol-2-yl]methyl}piperidin-1-yl)methanone
CID 124053092
(furan-3-yl)(3-{[5-methyl-1-(propan-2-yl)-1H-imidazol-2-yl]methyl}piperidin-1-yl)methanone
CID 164632562
(3-{[1-(cyclopropylmethyl)-5-methyl-1H-imidazol-2-yl]methyl}piperidin-1-yl)(furan-3-yl)methanone
CID 164634606
1'-(Furan-3-ylmethyl)-3,7-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid)
CID 155825433
7-(furan-3-ylmethyl)-2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid)
CID 155829642
N-ethyl-N-[[7-(furan-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]ethanamine;bis(2,2,2-trifluoroacetic acid)
CID 155832469
7-(furan-3-ylmethyl)-2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
CID 155842300

Frequently Asked Questions

What is the IUPAC name of [9-[(2,3-dimethylimidazol-4-yl)methyl]-3-(furan-3-ylmethyl)-3,9-diazaspiro[5.5]undecan-5-yl]methanol?
The IUPAC name of [9-[(2,3-dimethylimidazol-4-yl)methyl]-3-(furan-3-ylmethyl)-3,9-diazaspiro[5.5]undecan-5-yl]methanol (CID 74250013) is [9-[(2,3-dimethylimidazol-4-yl)methyl]-3-(furan-3-ylmethyl)-3,9-diazaspiro[5.5]undecan-5-yl]methanol.
What is the SMILES notation for [9-[(2,3-dimethylimidazol-4-yl)methyl]-3-(furan-3-ylmethyl)-3,9-diazaspiro[5.5]undecan-5-yl]methanol?
The canonical SMILES for [9-[(2,3-dimethylimidazol-4-yl)methyl]-3-(furan-3-ylmethyl)-3,9-diazaspiro[5.5]undecan-5-yl]methanol is Cc1ncc(CN2CCC3(CC2)CCN(Cc2ccoc2)CC3CO)n1C.
What is the InChIKey of [9-[(2,3-dimethylimidazol-4-yl)methyl]-3-(furan-3-ylmethyl)-3,9-diazaspiro[5.5]undecan-5-yl]methanol?
The InChIKey is ZNRROXCQAUGIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-17-22-11-20(23(17)2)14-24-7-4-21(5-8-24)6-9-25(13-19(21)15-26)12-18-3-10-27-16-18/h3,10-11,16,19,26H,4-9,12-15H2,1-2H3.
What are the key properties of [9-[(2,3-dimethylimidazol-4-yl)methyl]-3-(furan-3-ylmethyl)-3,9-diazaspiro[5.5]undecan-5-yl]methanol?
[9-[(2,3-dimethylimidazol-4-yl)methyl]-3-(furan-3-ylmethyl)-3,9-diazaspiro[5.5]undecan-5-yl]methanol has a molecular weight of 372.51 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [9-[(2,3-dimethylimidazol-4-yl)methyl]-3-(furan-3-ylmethyl)-3,9-diazaspiro[5.5]undecan-5-yl]methanol is sourced from PubChem (CID 74250013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).