[(2R)-2-(furan-2-yl)azepan-1-yl]-[3-(1-propan-2-ylimidazol-2-yl)phenyl]methanone

C23H27N3O2 — CID 125177371

IUPAC[(2R)-2-(furan-2-yl)azepan-1-yl]-[3-(1-propan-2-ylimidazol-2-yl)phenyl]methanone
SMILESCC(C)n1ccnc1-c1cccc(C(=O)N2CCCCC[C@@H]2c2ccco2)c1
InChIInChI=1S/C23H27N3O2/c1-17(2)25-14-12-24-22(25)18-8-6-9-19(16-18)23(27)26-13-5-3-4-10-20(26)21-11-7-15-28-21/h6-9,11-12,14-17,20H,3-5,10,13H2,1-2H3/t20-/m1/s1
InChIKeySXUXMFLKDATZAV-HXUWFJFHSA-N
MW377.49 g/mol
LogP5.48
Rot. Bonds4

About [(2R)-2-(furan-2-yl)azepan-1-yl]-[3-(1-propan-2-ylimidazol-2-yl)phenyl]methanone

[(2R)-2-(furan-2-yl)azepan-1-yl]-[3-(1-propan-2-ylimidazol-2-yl)phenyl]methanone (PubChem CID 125177371) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is [(2R)-2-(furan-2-yl)azepan-1-yl]-[3-(1-propan-2-ylimidazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[(2R)-2-(furan-2-yl)azepan-1-yl]-[3-(1-propan-2-ylimidazol-2-yl)phenyl]methanone
PubChem CID125177371
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name[(2R)-2-(furan-2-yl)azepan-1-yl]-[3-(1-propan-2-ylimidazol-2-yl)phenyl]methanone
SMILESCC(C)n1ccnc1-c1cccc(C(=O)N2CCCCC[C@@H]2c2ccco2)c1
InChIInChI=1S/C23H27N3O2/c1-17(2)25-14-12-24-22(25)18-8-6-9-19(16-18)23(27)26-13-5-3-4-10-20(26)21-11-7-15-28-21/h6-9,11-12,14-17,20H,3-5,10,13H2,1-2H3/t20-/m1/s1
InChIKeySXUXMFLKDATZAV-HXUWFJFHSA-N
XLogP5.48
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.49
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2R)-2-(furan-2-yl)azepan-1-yl]-[3-(1-propan-2-ylimidazol-2-yl)phenyl]methanone with MolForge

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Related Compounds

[(2R)-2-phenylpyrrolidin-1-yl]-[3-(1-propan-2-ylimidazol-2-yl)phenyl]methanone
CID 125167205
[2-(furan-2-yl)azepan-1-yl]-(3-pyrazol-1-ylphenyl)methanone
CID 70751382
5-[2-(furan-2-yl)azepane-1-carbonyl]pyridine-2-carboxylic acid
CID 119136063
3-[(2S)-2-(furan-2-yl)pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide
CID 99297656
1-[4-[2-(furan-2-yl)azepane-1-carbonyl]-2-methylphenyl]imidazolidin-2-one
CID 139002535
[2-(furan-2-yl)azepan-1-yl]-(2-methyl-4-phenylpyrimidin-5-yl)methanone
CID 70768765
5-[(2S)-2-(furan-2-yl)azepane-1-carbonyl]-1H-pyrazin-2-one
CID 97210433
4-[(2S)-2-(furan-2-yl)pyrrolidine-1-carbonyl]benzoic acid
CID 124701060
[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 92721203
(4-ethylsulfonylphenyl)-[(2R)-2-(furan-2-yl)piperidin-1-yl]methanone
CID 95352268
[(2S)-2-(furan-2-yl)azepan-1-yl]-pyrrolidin-1-ylmethanone
CID 95728453
(6-chloropyrazin-2-yl)-[2-(furan-2-yl)azepan-1-yl]methanone
CID 102562615

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(furan-2-yl)azepan-1-yl]-[3-(1-propan-2-ylimidazol-2-yl)phenyl]methanone?
The IUPAC name of [(2R)-2-(furan-2-yl)azepan-1-yl]-[3-(1-propan-2-ylimidazol-2-yl)phenyl]methanone (CID 125177371) is [(2R)-2-(furan-2-yl)azepan-1-yl]-[3-(1-propan-2-ylimidazol-2-yl)phenyl]methanone.
What is the SMILES notation for [(2R)-2-(furan-2-yl)azepan-1-yl]-[3-(1-propan-2-ylimidazol-2-yl)phenyl]methanone?
The canonical SMILES for [(2R)-2-(furan-2-yl)azepan-1-yl]-[3-(1-propan-2-ylimidazol-2-yl)phenyl]methanone is CC(C)n1ccnc1-c1cccc(C(=O)N2CCCCC[C@@H]2c2ccco2)c1.
What is the InChIKey of [(2R)-2-(furan-2-yl)azepan-1-yl]-[3-(1-propan-2-ylimidazol-2-yl)phenyl]methanone?
The InChIKey is SXUXMFLKDATZAV-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-17(2)25-14-12-24-22(25)18-8-6-9-19(16-18)23(27)26-13-5-3-4-10-20(26)21-11-7-15-28-21/h6-9,11-12,14-17,20H,3-5,10,13H2,1-2H3/t20-/m1/s1.
What are the key properties of [(2R)-2-(furan-2-yl)azepan-1-yl]-[3-(1-propan-2-ylimidazol-2-yl)phenyl]methanone?
[(2R)-2-(furan-2-yl)azepan-1-yl]-[3-(1-propan-2-ylimidazol-2-yl)phenyl]methanone has a molecular weight of 377.49 g/mol, XLogP of 5.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(furan-2-yl)azepan-1-yl]-[3-(1-propan-2-ylimidazol-2-yl)phenyl]methanone is sourced from PubChem (CID 125177371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).