1-cyclohexyl-1-hydroxy-1-(4-methoxyphenyl)-3-(2-propan-2-ylimidazol-1-yl)propan-2-one

C22H30N2O3 — CID 24753265

IUPAC1-cyclohexyl-1-hydroxy-1-(4-methoxyphenyl)-3-(2-propan-2-ylimidazol-1-yl)propan-2-one
SMILESCOc1ccc(C(O)(C(=O)Cn2ccnc2C(C)C)C2CCCCC2)cc1
InChIInChI=1S/C22H30N2O3/c1-16(2)21-23-13-14-24(21)15-20(25)22(26,17-7-5-4-6-8-17)18-9-11-19(27-3)12-10-18/h9-14,16-17,26H,4-8,15H2,1-3H3
InChIKeyBWCFSUUYOHFRPG-UHFFFAOYSA-N
MW370.49 g/mol
LogP4.05
Rot. Bonds7

About 1-cyclohexyl-1-hydroxy-1-(4-methoxyphenyl)-3-(2-propan-2-ylimidazol-1-yl)propan-2-one

1-cyclohexyl-1-hydroxy-1-(4-methoxyphenyl)-3-(2-propan-2-ylimidazol-1-yl)propan-2-one (PubChem CID 24753265) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is 1-cyclohexyl-1-hydroxy-1-(4-methoxyphenyl)-3-(2-propan-2-ylimidazol-1-yl)propan-2-one.

Molecular Properties

Compound Name1-cyclohexyl-1-hydroxy-1-(4-methoxyphenyl)-3-(2-propan-2-ylimidazol-1-yl)propan-2-one
PubChem CID24753265
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC Name1-cyclohexyl-1-hydroxy-1-(4-methoxyphenyl)-3-(2-propan-2-ylimidazol-1-yl)propan-2-one
SMILESCOc1ccc(C(O)(C(=O)Cn2ccnc2C(C)C)C2CCCCC2)cc1
InChIInChI=1S/C22H30N2O3/c1-16(2)21-23-13-14-24(21)15-20(25)22(26,17-7-5-4-6-8-17)18-9-11-19(27-3)12-10-18/h9-14,16-17,26H,4-8,15H2,1-3H3
InChIKeyBWCFSUUYOHFRPG-UHFFFAOYSA-N
XLogP4.05
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(cyclohexylmethyl)-2-(2-propan-2-ylimidazol-1-yl)ethanamine
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3-[4-methoxy-2-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]prop-2-yn-1-amine
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N-[2-(2-propan-2-ylimidazol-1-yl)ethyl]cyclohexanamine
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1-(3-bromo-4-methoxyphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanone
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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-hydroxy-1-(4-methoxyphenyl)-3-(2-propan-2-ylimidazol-1-yl)propan-2-one?
The IUPAC name of 1-cyclohexyl-1-hydroxy-1-(4-methoxyphenyl)-3-(2-propan-2-ylimidazol-1-yl)propan-2-one (CID 24753265) is 1-cyclohexyl-1-hydroxy-1-(4-methoxyphenyl)-3-(2-propan-2-ylimidazol-1-yl)propan-2-one.
What is the SMILES notation for 1-cyclohexyl-1-hydroxy-1-(4-methoxyphenyl)-3-(2-propan-2-ylimidazol-1-yl)propan-2-one?
The canonical SMILES for 1-cyclohexyl-1-hydroxy-1-(4-methoxyphenyl)-3-(2-propan-2-ylimidazol-1-yl)propan-2-one is COc1ccc(C(O)(C(=O)Cn2ccnc2C(C)C)C2CCCCC2)cc1.
What is the InChIKey of 1-cyclohexyl-1-hydroxy-1-(4-methoxyphenyl)-3-(2-propan-2-ylimidazol-1-yl)propan-2-one?
The InChIKey is BWCFSUUYOHFRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-16(2)21-23-13-14-24(21)15-20(25)22(26,17-7-5-4-6-8-17)18-9-11-19(27-3)12-10-18/h9-14,16-17,26H,4-8,15H2,1-3H3.
What are the key properties of 1-cyclohexyl-1-hydroxy-1-(4-methoxyphenyl)-3-(2-propan-2-ylimidazol-1-yl)propan-2-one?
1-cyclohexyl-1-hydroxy-1-(4-methoxyphenyl)-3-(2-propan-2-ylimidazol-1-yl)propan-2-one has a molecular weight of 370.49 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-hydroxy-1-(4-methoxyphenyl)-3-(2-propan-2-ylimidazol-1-yl)propan-2-one is sourced from PubChem (CID 24753265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).