(4S)-1-(4-imidazol-1-ylphenyl)-4-(5-methoxy-2-pyridinyl)pentan-2-one

C20H21N3O2 — CID 58255261

IUPAC(4S)-1-(4-imidazol-1-ylphenyl)-4-(5-methoxy-2-pyridinyl)pentan-2-one
SMILESCOc1ccc([C@@H](C)CC(=O)Cc2ccc(-n3ccnc3)cc2)nc1
InChIInChI=1S/C20H21N3O2/c1-15(20-8-7-19(25-2)13-22-20)11-18(24)12-16-3-5-17(6-4-16)23-10-9-21-14-23/h3-10,13-15H,11-12H2,1-2H3/t15-/m0/s1
InChIKeyFBYOAOZXSKNPFZ-HNNXBMFYSA-N
MW335.41 g/mol
LogP3.58
Rot. Bonds7

About (4S)-1-(4-imidazol-1-ylphenyl)-4-(5-methoxy-2-pyridinyl)pentan-2-one

(4S)-1-(4-imidazol-1-ylphenyl)-4-(5-methoxy-2-pyridinyl)pentan-2-one (PubChem CID 58255261) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is (4S)-1-(4-imidazol-1-ylphenyl)-4-(5-methoxy-2-pyridinyl)pentan-2-one.

Molecular Properties

Compound Name(4S)-1-(4-imidazol-1-ylphenyl)-4-(5-methoxy-2-pyridinyl)pentan-2-one
PubChem CID58255261
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name(4S)-1-(4-imidazol-1-ylphenyl)-4-(5-methoxy-2-pyridinyl)pentan-2-one
SMILESCOc1ccc([C@@H](C)CC(=O)Cc2ccc(-n3ccnc3)cc2)nc1
InChIInChI=1S/C20H21N3O2/c1-15(20-8-7-19(25-2)13-22-20)11-18(24)12-16-3-5-17(6-4-16)23-10-9-21-14-23/h3-10,13-15H,11-12H2,1-2H3/t15-/m0/s1
InChIKeyFBYOAOZXSKNPFZ-HNNXBMFYSA-N
XLogP3.58
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-1-(4-imidazol-1-ylphenyl)-4-(5-methoxy-2-pyridinyl)pentan-2-one?
The IUPAC name of (4S)-1-(4-imidazol-1-ylphenyl)-4-(5-methoxy-2-pyridinyl)pentan-2-one (CID 58255261) is (4S)-1-(4-imidazol-1-ylphenyl)-4-(5-methoxy-2-pyridinyl)pentan-2-one.
What is the SMILES notation for (4S)-1-(4-imidazol-1-ylphenyl)-4-(5-methoxy-2-pyridinyl)pentan-2-one?
The canonical SMILES for (4S)-1-(4-imidazol-1-ylphenyl)-4-(5-methoxy-2-pyridinyl)pentan-2-one is COc1ccc([C@@H](C)CC(=O)Cc2ccc(-n3ccnc3)cc2)nc1.
What is the InChIKey of (4S)-1-(4-imidazol-1-ylphenyl)-4-(5-methoxy-2-pyridinyl)pentan-2-one?
The InChIKey is FBYOAOZXSKNPFZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-15(20-8-7-19(25-2)13-22-20)11-18(24)12-16-3-5-17(6-4-16)23-10-9-21-14-23/h3-10,13-15H,11-12H2,1-2H3/t15-/m0/s1.
What are the key properties of (4S)-1-(4-imidazol-1-ylphenyl)-4-(5-methoxy-2-pyridinyl)pentan-2-one?
(4S)-1-(4-imidazol-1-ylphenyl)-4-(5-methoxy-2-pyridinyl)pentan-2-one has a molecular weight of 335.41 g/mol, XLogP of 3.58, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(4-imidazol-1-ylphenyl)-4-(5-methoxy-2-pyridinyl)pentan-2-one is sourced from PubChem (CID 58255261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).