(4-tert-butyl-1-cyclopentylimidazol-2-yl)-(2,6-diazaspiro[3.3]heptan-2-yl)methanone

C18H28N4O — CID 167328056

IUPAC(4-tert-butyl-1-cyclopentylimidazol-2-yl)-(2,6-diazaspiro[3.3]heptan-2-yl)methanone
SMILESCC(C)(C)c1cn(C2CCCC2)c(C(=O)N2CC3(CNC3)C2)n1
InChIInChI=1S/C18H28N4O/c1-17(2,3)14-8-22(13-6-4-5-7-13)15(20-14)16(23)21-11-18(12-21)9-19-10-18/h8,13,19H,4-7,9-12H2,1-3H3
InChIKeyXYXXRLYJEBWGCU-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.34
Rot. Bonds2

About (4-tert-butyl-1-cyclopentylimidazol-2-yl)-(2,6-diazaspiro[3.3]heptan-2-yl)methanone

(4-tert-butyl-1-cyclopentylimidazol-2-yl)-(2,6-diazaspiro[3.3]heptan-2-yl)methanone (PubChem CID 167328056) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is (4-tert-butyl-1-cyclopentylimidazol-2-yl)-(2,6-diazaspiro[3.3]heptan-2-yl)methanone.

Molecular Properties

Compound Name(4-tert-butyl-1-cyclopentylimidazol-2-yl)-(2,6-diazaspiro[3.3]heptan-2-yl)methanone
PubChem CID167328056
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name(4-tert-butyl-1-cyclopentylimidazol-2-yl)-(2,6-diazaspiro[3.3]heptan-2-yl)methanone
SMILESCC(C)(C)c1cn(C2CCCC2)c(C(=O)N2CC3(CNC3)C2)n1
InChIInChI=1S/C18H28N4O/c1-17(2,3)14-8-22(13-6-4-5-7-13)15(20-14)16(23)21-11-18(12-21)9-19-10-18/h8,13,19H,4-7,9-12H2,1-3H3
InChIKeyXYXXRLYJEBWGCU-UHFFFAOYSA-N
XLogP2.34
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-tert-butyl-1-cyclopentylimidazol-2-yl)-(2,6-diazaspiro[3.3]heptan-2-yl)methanone with MolForge

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Related Compounds

4-tert-butyl-1-cyclopentyl-2-ethylimidazole
CID 167328090
2,6-diazaspiro[3.3]heptan-2-yl-(4-methyl-1,3-thiazol-2-yl)methanone
CID 175741537
6-tert-butyl-4-(2,7-diazaspiro[4.5]decane-7-carbonyl)-1H-pyrimidin-2-one
CID 91779787
2,6-diazaspiro[3.3]heptan-2-yl-(6-fluoro-5-methyl-2-pyridinyl)methanone;ethane
CID 176955179
2,6-diazaspiro[3.3]heptan-2-yl(pyridin-2-yl)methanone
CID 166159425
2-tert-butyl-5-cyclopentyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
CID 136933906
1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-(4-methoxyphenyl)-2-methylpropan-1-one
CID 82038036
2-cyclopropyl-2,6-diazaspiro[3.3]heptane;2,2,2-trifluoroacetic acid
CID 146272884
[1-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 55545351
9-(4-tert-butyl-1,3-thiazol-2-yl)-9-azabicyclo[3.3.1]nonan-3-one
CID 55106169
2,6-diazaspiro[3.3]heptane-2-carbothioic S-acid
CID 170787306
2-cyclobutyl-2,6-diazaspiro[3.3]heptane;dihydrochloride
CID 167729280

Frequently Asked Questions

What is the IUPAC name of (4-tert-butyl-1-cyclopentylimidazol-2-yl)-(2,6-diazaspiro[3.3]heptan-2-yl)methanone?
The IUPAC name of (4-tert-butyl-1-cyclopentylimidazol-2-yl)-(2,6-diazaspiro[3.3]heptan-2-yl)methanone (CID 167328056) is (4-tert-butyl-1-cyclopentylimidazol-2-yl)-(2,6-diazaspiro[3.3]heptan-2-yl)methanone.
What is the SMILES notation for (4-tert-butyl-1-cyclopentylimidazol-2-yl)-(2,6-diazaspiro[3.3]heptan-2-yl)methanone?
The canonical SMILES for (4-tert-butyl-1-cyclopentylimidazol-2-yl)-(2,6-diazaspiro[3.3]heptan-2-yl)methanone is CC(C)(C)c1cn(C2CCCC2)c(C(=O)N2CC3(CNC3)C2)n1.
What is the InChIKey of (4-tert-butyl-1-cyclopentylimidazol-2-yl)-(2,6-diazaspiro[3.3]heptan-2-yl)methanone?
The InChIKey is XYXXRLYJEBWGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-17(2,3)14-8-22(13-6-4-5-7-13)15(20-14)16(23)21-11-18(12-21)9-19-10-18/h8,13,19H,4-7,9-12H2,1-3H3.
What are the key properties of (4-tert-butyl-1-cyclopentylimidazol-2-yl)-(2,6-diazaspiro[3.3]heptan-2-yl)methanone?
(4-tert-butyl-1-cyclopentylimidazol-2-yl)-(2,6-diazaspiro[3.3]heptan-2-yl)methanone has a molecular weight of 316.45 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butyl-1-cyclopentylimidazol-2-yl)-(2,6-diazaspiro[3.3]heptan-2-yl)methanone is sourced from PubChem (CID 167328056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).