6-[cyclopropyl(imidazol-1-yl)methyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-(1-imidazol-1-ylbutyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-(1-imidazol-1-yl-2-methylpropyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-[imidazol-1-yl(phenyl)methyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-(1-imidazol-1-ylpropyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one

C92H99N15O5 — CID 158125952

IUPAC6-[cyclopropyl(imidazol-1-yl)methyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-(1-imidazol-1-ylbutyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-(1-imidazol-1-yl-2-methylpropyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-[imidazol-1-yl(phenyl)methyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-(1-imidazol-1-ylpropyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
SMILESCC(C)C(c1cc2c3c(c1)CCN3C(=O)CC2)n1ccnc1.CCC(c1cc2c3c(c1)CCN3C(=O)CC2)n1ccnc1.CCCC(c1cc2c3c(c1)CCN3C(=O)CC2)n1ccnc1.O=C1CCc2cc(C(C3CC3)n3ccnc3)cc3c2N1CC3.O=C1CCc2cc(C(c3ccccc3)n3ccnc3)cc3c2N1CC3
InChIInChI=1S/C21H19N3O.C18H19N3O.2C18H21N3O.C17H19N3O/c25-19-7-6-16-12-18(13-17-8-10-24(19)21(16)17)20(23-11-9-22-14-23)15-4-2-1-3-5-15;22-16-4-3-13-9-15(10-14-5-7-21(16)18(13)14)17(12-1-2-12)20-8-6-19-11-20;1-12(2)17(20-8-6-19-11-20)15-9-13-3-4-16(22)21-7-5-14(10-15)18(13)21;1-2-3-16(20-9-7-19-12-20)15-10-13-4-5-17(22)21-8-6-14(11-15)18(13)21;1-2-15(19-8-6-18-11-19)14-9-12-3-4-16(21)20-7-5-13(10-14)17(12)20/h1-5,9,11-14,20H,6-8,10H2;6,8-12,17H,1-5,7H2;6,8-12,17H,3-5,7H2,1-2H3;7,9-12,16H,2-6,8H2,1H3;6,8-11,15H,2-5,7H2,1H3
InChIKeyFSEDKWLXKKPCSX-UHFFFAOYSA-N
MW1494.90 g/mol
LogP14.86
Rot. Bonds16

About 6-[cyclopropyl(imidazol-1-yl)methyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-(1-imidazol-1-ylbutyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-(1-imidazol-1-yl-2-methylpropyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-[imidazol-1-yl(phenyl)methyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-(1-imidazol-1-ylpropyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one

6-[cyclopropyl(imidazol-1-yl)methyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-(1-imidazol-1-ylbutyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-(1-imidazol-1-yl-2-methylpropyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-[imidazol-1-yl(phenyl)methyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-(1-imidazol-1-ylpropyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one (PubChem CID 158125952) has the molecular formula C92H99N15O5 and a molecular weight of 1494.90 g/mol. Its IUPAC name is 6-[cyclopropyl(imidazol-1-yl)methyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-(1-imidazol-1-ylbutyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-(1-imidazol-1-yl-2-methylpropyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-[imidazol-1-yl(phenyl)methyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-(1-imidazol-1-ylpropyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one.

Molecular Properties

Compound Name6-[cyclopropyl(imidazol-1-yl)methyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-(1-imidazol-1-ylbutyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-(1-imidazol-1-yl-2-methylpropyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-[imidazol-1-yl(phenyl)methyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-(1-imidazol-1-ylpropyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
PubChem CID158125952
Molecular FormulaC92H99N15O5
Molecular Weight1494.90 g/mol
Exact Mass1493.80
IUPAC Name6-[cyclopropyl(imidazol-1-yl)methyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-(1-imidazol-1-ylbutyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-(1-imidazol-1-yl-2-methylpropyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-[imidazol-1-yl(phenyl)methyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-(1-imidazol-1-ylpropyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
SMILESCC(C)C(c1cc2c3c(c1)CCN3C(=O)CC2)n1ccnc1.CCC(c1cc2c3c(c1)CCN3C(=O)CC2)n1ccnc1.CCCC(c1cc2c3c(c1)CCN3C(=O)CC2)n1ccnc1.O=C1CCc2cc(C(C3CC3)n3ccnc3)cc3c2N1CC3.O=C1CCc2cc(C(c3ccccc3)n3ccnc3)cc3c2N1CC3
InChIInChI=1S/C21H19N3O.C18H19N3O.2C18H21N3O.C17H19N3O/c25-19-7-6-16-12-18(13-17-8-10-24(19)21(16)17)20(23-11-9-22-14-23)15-4-2-1-3-5-15;22-16-4-3-13-9-15(10-14-5-7-21(16)18(13)14)17(12-1-2-12)20-8-6-19-11-20;1-12(2)17(20-8-6-19-11-20)15-9-13-3-4-16(22)21-7-5-14(10-15)18(13)21;1-2-3-16(20-9-7-19-12-20)15-10-13-4-5-17(22)21-8-6-14(11-15)18(13)21;1-2-15(19-8-6-18-11-19)14-9-12-3-4-16(21)20-7-5-13(10-14)17(12)20/h1-5,9,11-14,20H,6-8,10H2;6,8-12,17H,1-5,7H2;6,8-12,17H,3-5,7H2,1-2H3;7,9-12,16H,2-6,8H2,1H3;6,8-11,15H,2-5,7H2,1H3
InChIKeyFSEDKWLXKKPCSX-UHFFFAOYSA-N
XLogP14.86
TPSA190.65 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds16
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001494.90
LogP ≤ 514.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 6-[cyclopropyl(imidazol-1-yl)methyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-(1-imidazol-1-ylbutyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-(1-imidazol-1-yl-2-methylpropyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-[imidazol-1-yl(phenyl)methyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-(1-imidazol-1-ylpropyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one with MolForge

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Related Compounds

6-(1-imidazol-1-ylbutyl)-2,3-dihydroinden-1-one
CID 14850679
[4-[imidazol-1-yl-(11-sulfanylidene-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)methyl]phenyl] cyanate
CID 87306361
1-[1-(4-methylphenyl)butyl]imidazole
CID 90765635
1-[1-[4-(phenoxymethyl)phenyl]butyl]imidazole
CID 14514381
1-benzhydrylimidazole;hydrobromide
CID 174865219
(1S,2S)-N,N-diethyl-1-imidazol-1-yl-1-phenylpropan-2-amine
CID 102074049
propan-2-yl 4-(1-imidazol-1-ylbutyl)benzoate
CID 54557825
3-ethyl-6-(1-imidazol-1-yl-2-methylpropyl)-1,4-dihydroquinazolin-2-one
CID 174293394
4-(1-imidazol-1-ylbutyl)benzonitrile
CID 14514362
1-[1-[4-(butoxymethyl)phenyl]butyl]imidazole
CID 14514380
N-(3,3-diphenylpropyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
CID 16823169
6-methyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
CID 19612122

Frequently Asked Questions

What is the IUPAC name of 6-[cyclopropyl(imidazol-1-yl)methyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-(1-imidazol-1-ylbutyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-(1-imidazol-1-yl-2-methylpropyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-[imidazol-1-yl(phenyl)methyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-(1-imidazol-1-ylpropyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one?
The IUPAC name of 6-[cyclopropyl(imidazol-1-yl)methyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-(1-imidazol-1-ylbutyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-(1-imidazol-1-yl-2-methylpropyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-[imidazol-1-yl(phenyl)methyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-(1-imidazol-1-ylpropyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one (CID 158125952) is 6-[cyclopropyl(imidazol-1-yl)methyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-(1-imidazol-1-ylbutyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-(1-imidazol-1-yl-2-methylpropyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-[imidazol-1-yl(phenyl)methyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-(1-imidazol-1-ylpropyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one.
What is the SMILES notation for 6-[cyclopropyl(imidazol-1-yl)methyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-(1-imidazol-1-ylbutyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-(1-imidazol-1-yl-2-methylpropyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-[imidazol-1-yl(phenyl)methyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-(1-imidazol-1-ylpropyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one?
The canonical SMILES for 6-[cyclopropyl(imidazol-1-yl)methyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-(1-imidazol-1-ylbutyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-(1-imidazol-1-yl-2-methylpropyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-[imidazol-1-yl(phenyl)methyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-(1-imidazol-1-ylpropyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one is CC(C)C(c1cc2c3c(c1)CCN3C(=O)CC2)n1ccnc1.CCC(c1cc2c3c(c1)CCN3C(=O)CC2)n1ccnc1.CCCC(c1cc2c3c(c1)CCN3C(=O)CC2)n1ccnc1.O=C1CCc2cc(C(C3CC3)n3ccnc3)cc3c2N1CC3.O=C1CCc2cc(C(c3ccccc3)n3ccnc3)cc3c2N1CC3.
What is the InChIKey of 6-[cyclopropyl(imidazol-1-yl)methyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-(1-imidazol-1-ylbutyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-(1-imidazol-1-yl-2-methylpropyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-[imidazol-1-yl(phenyl)methyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-(1-imidazol-1-ylpropyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one?
The InChIKey is FSEDKWLXKKPCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O.C18H19N3O.2C18H21N3O.C17H19N3O/c25-19-7-6-16-12-18(13-17-8-10-24(19)21(16)17)20(23-11-9-22-14-23)15-4-2-1-3-5-15;22-16-4-3-13-9-15(10-14-5-7-21(16)18(13)14)17(12-1-2-12)20-8-6-19-11-20;1-12(2)17(20-8-6-19-11-20)15-9-13-3-4-16(22)21-7-5-14(10-15)18(13)21;1-2-3-16(20-9-7-19-12-20)15-10-13-4-5-17(22)21-8-6-14(11-15)18(13)21;1-2-15(19-8-6-18-11-19)14-9-12-3-4-16(21)20-7-5-13(10-14)17(12)20/h1-5,9,11-14,20H,6-8,10H2;6,8-12,17H,1-5,7H2;6,8-12,17H,3-5,7H2,1-2H3;7,9-12,16H,2-6,8H2,1H3;6,8-11,15H,2-5,7H2,1H3.
What are the key properties of 6-[cyclopropyl(imidazol-1-yl)methyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-(1-imidazol-1-ylbutyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-(1-imidazol-1-yl-2-methylpropyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-[imidazol-1-yl(phenyl)methyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-(1-imidazol-1-ylpropyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one?
6-[cyclopropyl(imidazol-1-yl)methyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-(1-imidazol-1-ylbutyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-(1-imidazol-1-yl-2-methylpropyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-[imidazol-1-yl(phenyl)methyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-(1-imidazol-1-ylpropyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one has a molecular weight of 1494.90 g/mol, XLogP of 14.86, 16 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclopropyl(imidazol-1-yl)methyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-(1-imidazol-1-ylbutyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-(1-imidazol-1-yl-2-methylpropyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-[imidazol-1-yl(phenyl)methyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-(1-imidazol-1-ylpropyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one is sourced from PubChem (CID 158125952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).