2-(cyclobutylmethoxy)-1-[3-[(1R)-1-phenylethyl]imidazol-4-yl]ethanone

C18H22N2O2 — CID 167321339

IUPAC2-(cyclobutylmethoxy)-1-[3-[(1R)-1-phenylethyl]imidazol-4-yl]ethanone
SMILESC[C@H](c1ccccc1)n1cncc1C(=O)COCC1CCC1
InChIInChI=1S/C18H22N2O2/c1-14(16-8-3-2-4-9-16)20-13-19-10-17(20)18(21)12-22-11-15-6-5-7-15/h2-4,8-10,13-15H,5-7,11-12H2,1H3/t14-/m1/s1
InChIKeyQRSVEZFZNVDKTI-CQSZACIVSA-N
MW298.39 g/mol
LogP3.49
Rot. Bonds7

About 2-(cyclobutylmethoxy)-1-[3-[(1R)-1-phenylethyl]imidazol-4-yl]ethanone

2-(cyclobutylmethoxy)-1-[3-[(1R)-1-phenylethyl]imidazol-4-yl]ethanone (PubChem CID 167321339) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-(cyclobutylmethoxy)-1-[3-[(1R)-1-phenylethyl]imidazol-4-yl]ethanone.

Molecular Properties

Compound Name2-(cyclobutylmethoxy)-1-[3-[(1R)-1-phenylethyl]imidazol-4-yl]ethanone
PubChem CID167321339
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name2-(cyclobutylmethoxy)-1-[3-[(1R)-1-phenylethyl]imidazol-4-yl]ethanone
SMILESC[C@H](c1ccccc1)n1cncc1C(=O)COCC1CCC1
InChIInChI=1S/C18H22N2O2/c1-14(16-8-3-2-4-9-16)20-13-19-10-17(20)18(21)12-22-11-15-6-5-7-15/h2-4,8-10,13-15H,5-7,11-12H2,1H3/t14-/m1/s1
InChIKeyQRSVEZFZNVDKTI-CQSZACIVSA-N
XLogP3.49
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1H-Imidazole-5-carboxylic acid, 1-((1R)-1-phenylethyl)-, 1-methylethyl ester
CID 12408743
1-Benzyl-1H-imidazole-5-carboxaldehyde
CID 2773239
(2-((1-isopropylpiperidin-4-yl)methoxy)-1-methyl-1H-imidazol-5-yl)(phenyl)methanone
CID 44571277
N-methoxy-N-methyl-3-[(1R)-1-phenylethyl]imidazole-4-carboxamide
CID 24828313
1-[3-[(1R)-1-phenylethyl]imidazol-4-yl]ethanone
CID 24828314
US10858362, Example 17
CID 122652218
US10858362, Example 24
CID 122652282
US10858362, Example 54
CID 122652310
US10858362, Example 5
CID 122652328
US10912773, Example 31-isomer-1
CID 122652353
US10858362, Example 36, isomer 1
CID 122652377
US10858362, Example 36, isomer 4
CID 122652474

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylmethoxy)-1-[3-[(1R)-1-phenylethyl]imidazol-4-yl]ethanone?
The IUPAC name of 2-(cyclobutylmethoxy)-1-[3-[(1R)-1-phenylethyl]imidazol-4-yl]ethanone (CID 167321339) is 2-(cyclobutylmethoxy)-1-[3-[(1R)-1-phenylethyl]imidazol-4-yl]ethanone.
What is the SMILES notation for 2-(cyclobutylmethoxy)-1-[3-[(1R)-1-phenylethyl]imidazol-4-yl]ethanone?
The canonical SMILES for 2-(cyclobutylmethoxy)-1-[3-[(1R)-1-phenylethyl]imidazol-4-yl]ethanone is C[C@H](c1ccccc1)n1cncc1C(=O)COCC1CCC1.
What is the InChIKey of 2-(cyclobutylmethoxy)-1-[3-[(1R)-1-phenylethyl]imidazol-4-yl]ethanone?
The InChIKey is QRSVEZFZNVDKTI-CQSZACIVSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-14(16-8-3-2-4-9-16)20-13-19-10-17(20)18(21)12-22-11-15-6-5-7-15/h2-4,8-10,13-15H,5-7,11-12H2,1H3/t14-/m1/s1.
What are the key properties of 2-(cyclobutylmethoxy)-1-[3-[(1R)-1-phenylethyl]imidazol-4-yl]ethanone?
2-(cyclobutylmethoxy)-1-[3-[(1R)-1-phenylethyl]imidazol-4-yl]ethanone has a molecular weight of 298.39 g/mol, XLogP of 3.49, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylmethoxy)-1-[3-[(1R)-1-phenylethyl]imidazol-4-yl]ethanone is sourced from PubChem (CID 167321339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).