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

C20H23N3O — CID 56873824

IUPAC[(1R,2R,6S,7S)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-(5-methyl-2-phenyl-1H-imidazol-4-yl)methanone
SMILESCc1[nH]c(-c2ccccc2)nc1C(=O)N1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1
InChIInChI=1S/C20H23N3O/c1-12-18(22-19(21-12)13-5-3-2-4-6-13)20(24)23-10-16-14-7-8-15(9-14)17(16)11-23/h2-6,14-17H,7-11H2,1H3,(H,21,22)/t14-,15+,16-,17+
InChIKeyWXYOCGGFXLUCQQ-WNKDZCFJSA-N
MW321.42 g/mol
LogP3.50
Rot. Bonds2

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

[(1R,2R,6S,7S)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-(5-methyl-2-phenyl-1H-imidazol-4-yl)methanone (PubChem CID 56873824) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is [(1R,2R,6S,7S)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-(5-methyl-2-phenyl-1H-imidazol-4-yl)methanone.

Molecular Properties

Compound Name[(1R,2R,6S,7S)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-(5-methyl-2-phenyl-1H-imidazol-4-yl)methanone
PubChem CID56873824
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name[(1R,2R,6S,7S)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-(5-methyl-2-phenyl-1H-imidazol-4-yl)methanone
SMILESCc1[nH]c(-c2ccccc2)nc1C(=O)N1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1
InChIInChI=1S/C20H23N3O/c1-12-18(22-19(21-12)13-5-3-2-4-6-13)20(24)23-10-16-14-7-8-15(9-14)17(16)11-23/h2-6,14-17H,7-11H2,1H3,(H,21,22)/t14-,15+,16-,17+
InChIKeyWXYOCGGFXLUCQQ-WNKDZCFJSA-N
XLogP3.50
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

(1R,5S)-3-(5-methyl-2-phenyl-1H-imidazole-4-carbonyl)-6-propyl-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 133118072
[(2S)-2-benzylmorpholin-4-yl]-(5-methyl-2-phenyl-1H-imidazol-4-yl)methanone
CID 25286761
[(2R)-2-benzylmorpholin-4-yl]-(5-methyl-2-phenyl-1H-imidazol-4-yl)methanone
CID 25286762
[(3S,4R)-3-ethyl-4-hydroxy-4-methylpiperidin-1-yl]-(5-methyl-2-phenyl-1H-imidazol-4-yl)methanone
CID 56751469
[(3aR,5R,6R,7aS)-5-hydroxy-6-pyrazol-1-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-[2-(4-fluorophenyl)-5-methyl-1H-imidazol-4-yl]methanone
CID 172657606
N-[(3aS,5R,6R,7aR)-2-[2-(4-fluorophenyl)-5-methyl-1H-imidazole-4-carbonyl]-6-hydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-yl]acetamide
CID 172662901
[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-(2-methyl-1H-imidazol-5-yl)methanone
CID 119060084
[(4aS,7aR)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-[2-(3-chlorophenyl)-5-methyl-1H-imidazol-4-yl]methanone
CID 126803348
(5-methyl-2-phenyl-1H-imidazol-4-yl)-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylmethanone
CID 138806015
2-(5-methyl-2-phenyl-1H-imidazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72926019
2-amino-7-(5-methyl-2-phenyl-1H-imidazole-4-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135990874
[1-[2-(4-fluorophenyl)-5-methyl-1H-imidazole-4-carbonyl]pyrrolidin-3-yl]methanesulfonamide
CID 146039511

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,6S,7S)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-(5-methyl-2-phenyl-1H-imidazol-4-yl)methanone?
The IUPAC name of [(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) is [(1R,2R,6S,7S)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-(5-methyl-2-phenyl-1H-imidazol-4-yl)methanone.
What is the SMILES notation for [(1R,2R,6S,7S)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-(5-methyl-2-phenyl-1H-imidazol-4-yl)methanone?
The canonical SMILES for [(1R,2R,6S,7S)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-(5-methyl-2-phenyl-1H-imidazol-4-yl)methanone is Cc1[nH]c(-c2ccccc2)nc1C(=O)N1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1.
What is the InChIKey of [(1R,2R,6S,7S)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-(5-methyl-2-phenyl-1H-imidazol-4-yl)methanone?
The InChIKey is WXYOCGGFXLUCQQ-WNKDZCFJSA-N. The full InChI is InChI=1S/C20H23N3O/c1-12-18(22-19(21-12)13-5-3-2-4-6-13)20(24)23-10-16-14-7-8-15(9-14)17(16)11-23/h2-6,14-17H,7-11H2,1H3,(H,21,22)/t14-,15+,16-,17+.
What are the key properties of [(1R,2R,6S,7S)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-(5-methyl-2-phenyl-1H-imidazol-4-yl)methanone?
[(1R,2R,6S,7S)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-(5-methyl-2-phenyl-1H-imidazol-4-yl)methanone has a molecular weight of 321.42 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,6S,7S)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-(5-methyl-2-phenyl-1H-imidazol-4-yl)methanone is sourced from PubChem (CID 56873824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).