ethane;1-[1-[4-(2-hydroxyethoxy)phenyl]-2-(6-methoxy-3-pyridinyl)imidazol-4-yl]-2-methylpropan-1-one

C23H29N3O4 — CID 142920199

IUPACethane;1-[1-[4-(2-hydroxyethoxy)phenyl]-2-(6-methoxy-3-pyridinyl)imidazol-4-yl]-2-methylpropan-1-one
SMILESCC.COc1ccc(-c2nc(C(=O)C(C)C)cn2-c2ccc(OCCO)cc2)cn1
InChIInChI=1S/C21H23N3O4.C2H6/c1-14(2)20(26)18-13-24(16-5-7-17(8-6-16)28-11-10-25)21(23-18)15-4-9-19(27-3)22-12-15;1-2/h4-9,12-14,25H,10-11H2,1-3H3;1-2H3
InChIKeyCJHIVERWZUYNTJ-UHFFFAOYSA-N
MW411.50 g/mol
LogP4.18
Rot. Bonds8

About ethane;1-[1-[4-(2-hydroxyethoxy)phenyl]-2-(6-methoxy-3-pyridinyl)imidazol-4-yl]-2-methylpropan-1-one

ethane;1-[1-[4-(2-hydroxyethoxy)phenyl]-2-(6-methoxy-3-pyridinyl)imidazol-4-yl]-2-methylpropan-1-one (PubChem CID 142920199) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is ethane;1-[1-[4-(2-hydroxyethoxy)phenyl]-2-(6-methoxy-3-pyridinyl)imidazol-4-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Nameethane;1-[1-[4-(2-hydroxyethoxy)phenyl]-2-(6-methoxy-3-pyridinyl)imidazol-4-yl]-2-methylpropan-1-one
PubChem CID142920199
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC Nameethane;1-[1-[4-(2-hydroxyethoxy)phenyl]-2-(6-methoxy-3-pyridinyl)imidazol-4-yl]-2-methylpropan-1-one
SMILESCC.COc1ccc(-c2nc(C(=O)C(C)C)cn2-c2ccc(OCCO)cc2)cn1
InChIInChI=1S/C21H23N3O4.C2H6/c1-14(2)20(26)18-13-24(16-5-7-17(8-6-16)28-11-10-25)21(23-18)15-4-9-19(27-3)22-12-15;1-2/h4-9,12-14,25H,10-11H2,1-3H3;1-2H3
InChIKeyCJHIVERWZUYNTJ-UHFFFAOYSA-N
XLogP4.18
TPSA86.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

cyclopentyl-[1-[4-(2-hydroxyethoxy)phenyl]-2-(6-methoxy-3-pyridinyl)imidazol-4-yl]methanone
CID 10386685
2-[4-[2-(6-methoxy-3-pyridinyl)-5-propan-2-yloxy-1,2,4-triazol-3-yl]phenoxy]ethanol
CID 142920151
4-[2-(6-methoxy-3-pyridinyl)-1-(4-methylphenyl)imidazole-4-carbonyl]-1-methylpiperazin-2-one
CID 23110194
[2-(6-methoxy-3-pyridinyl)-1-phenylimidazol-4-yl]-(2,2,4-trimethylpiperazin-1-yl)methanone
CID 23110210
tert-butyl N-[2-[4-[4-acetyl-2-(4-methoxyphenyl)imidazol-1-yl]phenoxy]ethyl]carbamate
CID 142920134
N-ethyl-1,2-bis(4-methoxyphenyl)-N-methylimidazole-4-carboxamide
CID 69444871
2-[4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]ethanol
CID 58806821
2-[4-[1-(6-methoxy-3-pyridinyl)-3-propan-2-ylpyrazol-5-yl]phenoxy]ethylurea
CID 21091103
2-[4-[1-(6-methoxy-3-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]ethanol;hydrochloride
CID 159291199
2-[4-[1-(6-methoxy-3-pyridinyl)-3-propan-2-yloxypyrazol-5-yl]phenoxy]ethylurea
CID 21091099
[4-(2-hydroxyethoxy)phenyl]-(4-methoxyphenyl)methanone
CID 66778395
tert-butyl 4-[2-(6-methoxy-3-pyridinyl)-1-phenylimidazol-4-yl]-5-oxo-1,4-diazepane-1-carboxylate
CID 11454032

Frequently Asked Questions

What is the IUPAC name of ethane;1-[1-[4-(2-hydroxyethoxy)phenyl]-2-(6-methoxy-3-pyridinyl)imidazol-4-yl]-2-methylpropan-1-one?
The IUPAC name of ethane;1-[1-[4-(2-hydroxyethoxy)phenyl]-2-(6-methoxy-3-pyridinyl)imidazol-4-yl]-2-methylpropan-1-one (CID 142920199) is ethane;1-[1-[4-(2-hydroxyethoxy)phenyl]-2-(6-methoxy-3-pyridinyl)imidazol-4-yl]-2-methylpropan-1-one.
What is the SMILES notation for ethane;1-[1-[4-(2-hydroxyethoxy)phenyl]-2-(6-methoxy-3-pyridinyl)imidazol-4-yl]-2-methylpropan-1-one?
The canonical SMILES for ethane;1-[1-[4-(2-hydroxyethoxy)phenyl]-2-(6-methoxy-3-pyridinyl)imidazol-4-yl]-2-methylpropan-1-one is CC.COc1ccc(-c2nc(C(=O)C(C)C)cn2-c2ccc(OCCO)cc2)cn1.
What is the InChIKey of ethane;1-[1-[4-(2-hydroxyethoxy)phenyl]-2-(6-methoxy-3-pyridinyl)imidazol-4-yl]-2-methylpropan-1-one?
The InChIKey is CJHIVERWZUYNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4.C2H6/c1-14(2)20(26)18-13-24(16-5-7-17(8-6-16)28-11-10-25)21(23-18)15-4-9-19(27-3)22-12-15;1-2/h4-9,12-14,25H,10-11H2,1-3H3;1-2H3.
What are the key properties of ethane;1-[1-[4-(2-hydroxyethoxy)phenyl]-2-(6-methoxy-3-pyridinyl)imidazol-4-yl]-2-methylpropan-1-one?
ethane;1-[1-[4-(2-hydroxyethoxy)phenyl]-2-(6-methoxy-3-pyridinyl)imidazol-4-yl]-2-methylpropan-1-one has a molecular weight of 411.50 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[1-[4-(2-hydroxyethoxy)phenyl]-2-(6-methoxy-3-pyridinyl)imidazol-4-yl]-2-methylpropan-1-one is sourced from PubChem (CID 142920199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).