[(2R)-3,3-dimethyloxolan-2-yl]-(1-phenylimidazol-2-yl)methanone

C16H18N2O2 — CID 122401660

IUPAC[(2R)-3,3-dimethyloxolan-2-yl]-(1-phenylimidazol-2-yl)methanone
SMILESCC1(C)CCO[C@H]1C(=O)c1nccn1-c1ccccc1
InChIInChI=1S/C16H18N2O2/c1-16(2)8-11-20-14(16)13(19)15-17-9-10-18(15)12-6-4-3-5-7-12/h3-7,9-10,14H,8,11H2,1-2H3/t14-/m0/s1
InChIKeyYGKFTJRQDXKWCO-AWEZNQCLSA-N
MW270.33 g/mol
LogP2.87
Rot. Bonds3

About [(2R)-3,3-dimethyloxolan-2-yl]-(1-phenylimidazol-2-yl)methanone

[(2R)-3,3-dimethyloxolan-2-yl]-(1-phenylimidazol-2-yl)methanone (PubChem CID 122401660) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is [(2R)-3,3-dimethyloxolan-2-yl]-(1-phenylimidazol-2-yl)methanone.

Molecular Properties

Compound Name[(2R)-3,3-dimethyloxolan-2-yl]-(1-phenylimidazol-2-yl)methanone
PubChem CID122401660
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name[(2R)-3,3-dimethyloxolan-2-yl]-(1-phenylimidazol-2-yl)methanone
SMILESCC1(C)CCO[C@H]1C(=O)c1nccn1-c1ccccc1
InChIInChI=1S/C16H18N2O2/c1-16(2)8-11-20-14(16)13(19)15-17-9-10-18(15)12-6-4-3-5-7-12/h3-7,9-10,14H,8,11H2,1-2H3/t14-/m0/s1
InChIKeyYGKFTJRQDXKWCO-AWEZNQCLSA-N
XLogP2.87
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2R)-3,3-dimethyloxolan-2-yl]-(1-phenylimidazol-2-yl)methanone?
The IUPAC name of [(2R)-3,3-dimethyloxolan-2-yl]-(1-phenylimidazol-2-yl)methanone (CID 122401660) is [(2R)-3,3-dimethyloxolan-2-yl]-(1-phenylimidazol-2-yl)methanone.
What is the SMILES notation for [(2R)-3,3-dimethyloxolan-2-yl]-(1-phenylimidazol-2-yl)methanone?
The canonical SMILES for [(2R)-3,3-dimethyloxolan-2-yl]-(1-phenylimidazol-2-yl)methanone is CC1(C)CCO[C@H]1C(=O)c1nccn1-c1ccccc1.
What is the InChIKey of [(2R)-3,3-dimethyloxolan-2-yl]-(1-phenylimidazol-2-yl)methanone?
The InChIKey is YGKFTJRQDXKWCO-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-16(2)8-11-20-14(16)13(19)15-17-9-10-18(15)12-6-4-3-5-7-12/h3-7,9-10,14H,8,11H2,1-2H3/t14-/m0/s1.
What are the key properties of [(2R)-3,3-dimethyloxolan-2-yl]-(1-phenylimidazol-2-yl)methanone?
[(2R)-3,3-dimethyloxolan-2-yl]-(1-phenylimidazol-2-yl)methanone has a molecular weight of 270.33 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3,3-dimethyloxolan-2-yl]-(1-phenylimidazol-2-yl)methanone is sourced from PubChem (CID 122401660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).