methyl 1-[(1S,2S)-2-hydroxycyclopentyl]-5-phenylimidazole-4-carboxylate

C16H18N2O3 — CID 68989004

IUPACmethyl 1-[(1S,2S)-2-hydroxycyclopentyl]-5-phenylimidazole-4-carboxylate
SMILESCOC(=O)c1ncn([C@H]2CCC[C@@H]2O)c1-c1ccccc1
InChIInChI=1S/C16H18N2O3/c1-21-16(20)14-15(11-6-3-2-4-7-11)18(10-17-14)12-8-5-9-13(12)19/h2-4,6-7,10,12-13,19H,5,8-9H2,1H3/t12-,13-/m0/s1
InChIKeyFOBADBOBYOVWCD-STQMWFEESA-N
MW286.33 g/mol
LogP2.42
Rot. Bonds3

About methyl 1-[(1S,2S)-2-hydroxycyclopentyl]-5-phenylimidazole-4-carboxylate

methyl 1-[(1S,2S)-2-hydroxycyclopentyl]-5-phenylimidazole-4-carboxylate (PubChem CID 68989004) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is methyl 1-[(1S,2S)-2-hydroxycyclopentyl]-5-phenylimidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(1S,2S)-2-hydroxycyclopentyl]-5-phenylimidazole-4-carboxylate
PubChem CID68989004
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Namemethyl 1-[(1S,2S)-2-hydroxycyclopentyl]-5-phenylimidazole-4-carboxylate
SMILESCOC(=O)c1ncn([C@H]2CCC[C@@H]2O)c1-c1ccccc1
InChIInChI=1S/C16H18N2O3/c1-21-16(20)14-15(11-6-3-2-4-7-11)18(10-17-14)12-8-5-9-13(12)19/h2-4,6-7,10,12-13,19H,5,8-9H2,1H3/t12-,13-/m0/s1
InChIKeyFOBADBOBYOVWCD-STQMWFEESA-N
XLogP2.42
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[(1S,2S)-2-hydroxycyclopentyl]-5-phenylimidazole-4-carboxylate?
The IUPAC name of methyl 1-[(1S,2S)-2-hydroxycyclopentyl]-5-phenylimidazole-4-carboxylate (CID 68989004) is methyl 1-[(1S,2S)-2-hydroxycyclopentyl]-5-phenylimidazole-4-carboxylate.
What is the SMILES notation for methyl 1-[(1S,2S)-2-hydroxycyclopentyl]-5-phenylimidazole-4-carboxylate?
The canonical SMILES for methyl 1-[(1S,2S)-2-hydroxycyclopentyl]-5-phenylimidazole-4-carboxylate is COC(=O)c1ncn([C@H]2CCC[C@@H]2O)c1-c1ccccc1.
What is the InChIKey of methyl 1-[(1S,2S)-2-hydroxycyclopentyl]-5-phenylimidazole-4-carboxylate?
The InChIKey is FOBADBOBYOVWCD-STQMWFEESA-N. The full InChI is InChI=1S/C16H18N2O3/c1-21-16(20)14-15(11-6-3-2-4-7-11)18(10-17-14)12-8-5-9-13(12)19/h2-4,6-7,10,12-13,19H,5,8-9H2,1H3/t12-,13-/m0/s1.
What are the key properties of methyl 1-[(1S,2S)-2-hydroxycyclopentyl]-5-phenylimidazole-4-carboxylate?
methyl 1-[(1S,2S)-2-hydroxycyclopentyl]-5-phenylimidazole-4-carboxylate has a molecular weight of 286.33 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(1S,2S)-2-hydroxycyclopentyl]-5-phenylimidazole-4-carboxylate is sourced from PubChem (CID 68989004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).