[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-(2-methyl-1H-imidazol-5-yl)methanone

C14H19N3O — CID 119060084

IUPAC[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-(2-methyl-1H-imidazol-5-yl)methanone
SMILESCc1ncc(C(=O)N2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2)[nH]1
InChIInChI=1S/C14H19N3O/c1-8-15-5-13(16-8)14(18)17-6-11-9-2-3-10(4-9)12(11)7-17/h5,9-12H,2-4,6-7H2,1H3,(H,15,16)/t9-,10+,11-,12+
InChIKeyTYXHKVNBWOXLCK-BKUVIOGVSA-N
MW245.33 g/mol
LogP1.84
Rot. Bonds1

About [(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-(2-methyl-1H-imidazol-5-yl)methanone

[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-(2-methyl-1H-imidazol-5-yl)methanone (PubChem CID 119060084) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is [(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-(2-methyl-1H-imidazol-5-yl)methanone.

Molecular Properties

Compound Name[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-(2-methyl-1H-imidazol-5-yl)methanone
PubChem CID119060084
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-(2-methyl-1H-imidazol-5-yl)methanone
SMILESCc1ncc(C(=O)N2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2)[nH]1
InChIInChI=1S/C14H19N3O/c1-8-15-5-13(16-8)14(18)17-6-11-9-2-3-10(4-9)12(11)7-17/h5,9-12H,2-4,6-7H2,1H3,(H,15,16)/t9-,10+,11-,12+
InChIKeyTYXHKVNBWOXLCK-BKUVIOGVSA-N
XLogP1.84
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-(2-methyl-1H-imidazol-5-yl)methanone with MolForge

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Related Compounds

(3S,4S)-4-cyclopropyl-1-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 72838996
[(1R,2R,6S,7S)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-(5-methyl-2-phenyl-1H-imidazol-4-yl)methanone
CID 56873824
[(3aR,4R,6aS)-5-(2-methyl-1H-imidazole-5-carbonyl)-4-(2-methylphenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-(furan-3-yl)methanone
CID 171385971
(2-methyl-1H-imidazol-5-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 144817234
[(2S,6R)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-(2-cyclopropyl-4-methylpyrimidin-5-yl)methanone
CID 56878787
(2-methyl-1H-imidazol-5-yl)-[(3R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95765310
(3aR,6aS)-1-(2-methyl-1H-imidazole-5-carbonyl)-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-3a-carboxylic acid
CID 138056839
(2-methyl-1H-imidazol-5-yl)-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
CID 96512691
2-methyl-1H-imidazole-5-carboxylic acid;dihydrate
CID 69419539
(3R,4R)-4-cyclopropyl-1-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 133112153
[(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone
CID 129341691
[(3S)-4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone
CID 97238185

Frequently Asked Questions

What is the IUPAC name of [(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-(2-methyl-1H-imidazol-5-yl)methanone?
The IUPAC name of [(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-(2-methyl-1H-imidazol-5-yl)methanone (CID 119060084) is [(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-(2-methyl-1H-imidazol-5-yl)methanone.
What is the SMILES notation for [(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-(2-methyl-1H-imidazol-5-yl)methanone?
The canonical SMILES for [(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-(2-methyl-1H-imidazol-5-yl)methanone is Cc1ncc(C(=O)N2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2)[nH]1.
What is the InChIKey of [(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-(2-methyl-1H-imidazol-5-yl)methanone?
The InChIKey is TYXHKVNBWOXLCK-BKUVIOGVSA-N. The full InChI is InChI=1S/C14H19N3O/c1-8-15-5-13(16-8)14(18)17-6-11-9-2-3-10(4-9)12(11)7-17/h5,9-12H,2-4,6-7H2,1H3,(H,15,16)/t9-,10+,11-,12+.
What are the key properties of [(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-(2-methyl-1H-imidazol-5-yl)methanone?
[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-(2-methyl-1H-imidazol-5-yl)methanone has a molecular weight of 245.33 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-(2-methyl-1H-imidazol-5-yl)methanone is sourced from PubChem (CID 119060084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).