(4-imidazol-1-ylphenyl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone

C20H25N3O — CID 57456424

IUPAC(4-imidazol-1-ylphenyl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
SMILESCC1(C)CC2CC(C)(CN2C(=O)c2ccc(-n3ccnc3)cc2)C1
InChIInChI=1S/C20H25N3O/c1-19(2)10-17-11-20(3,12-19)13-23(17)18(24)15-4-6-16(7-5-15)22-9-8-21-14-22/h4-9,14,17H,10-13H2,1-3H3
InChIKeyRJTJHWUTEFLYIT-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.91
Rot. Bonds2

About (4-imidazol-1-ylphenyl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone

(4-imidazol-1-ylphenyl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone (PubChem CID 57456424) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is (4-imidazol-1-ylphenyl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone.

Molecular Properties

Compound Name(4-imidazol-1-ylphenyl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
PubChem CID57456424
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name(4-imidazol-1-ylphenyl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
SMILESCC1(C)CC2CC(C)(CN2C(=O)c2ccc(-n3ccnc3)cc2)C1
InChIInChI=1S/C20H25N3O/c1-19(2)10-17-11-20(3,12-19)13-23(17)18(24)15-4-6-16(7-5-15)22-9-8-21-14-22/h4-9,14,17H,10-13H2,1-3H3
InChIKeyRJTJHWUTEFLYIT-UHFFFAOYSA-N
XLogP3.91
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-imidazol-1-ylphenyl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone with MolForge

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Related Compounds

[4-(2-hydroxypropan-2-yl)phenyl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
CID 58324663
[4-(4-amino-3-pyridinyl)phenyl]-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone
CID 121499669
[4-(3-methyl-5-phenylpyrazol-1-yl)phenyl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
CID 4711370
(3,5-dibromophenyl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
CID 107980322
1H-indol-5-yl-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone
CID 98131698
(2,3-dimethylpiperazin-1-yl)-(4-imidazol-1-ylphenyl)methanone;dihydrochloride
CID 120571831
[4-[(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]phenyl]-[(5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone
CID 71194401
(4-imidazol-1-ylphenyl)-(2-methylpiperidin-1-yl)methanone
CID 47159866
[4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)phenyl]methylsulfamoylcarbamic acid
CID 71010353
(3,5-dinitrophenyl)-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone
CID 98446036
methyl 3-[[4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)benzoyl]amino]propanoate
CID 11292117
4-[4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)phenoxy]cyclohexane-1-carboxylic acid
CID 24963336

Frequently Asked Questions

What is the IUPAC name of (4-imidazol-1-ylphenyl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone?
The IUPAC name of (4-imidazol-1-ylphenyl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone (CID 57456424) is (4-imidazol-1-ylphenyl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone.
What is the SMILES notation for (4-imidazol-1-ylphenyl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone?
The canonical SMILES for (4-imidazol-1-ylphenyl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone is CC1(C)CC2CC(C)(CN2C(=O)c2ccc(-n3ccnc3)cc2)C1.
What is the InChIKey of (4-imidazol-1-ylphenyl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone?
The InChIKey is RJTJHWUTEFLYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-19(2)10-17-11-20(3,12-19)13-23(17)18(24)15-4-6-16(7-5-15)22-9-8-21-14-22/h4-9,14,17H,10-13H2,1-3H3.
What are the key properties of (4-imidazol-1-ylphenyl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone?
(4-imidazol-1-ylphenyl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone has a molecular weight of 323.44 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-imidazol-1-ylphenyl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone is sourced from PubChem (CID 57456424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).