(1-ethenylcyclopentyl) 5-fluoro-3-[(1R)-1-phenylethyl]imidazole-4-carboxylate

C19H21FN2O2 — CID 139383408

IUPAC(1-ethenylcyclopentyl) 5-fluoro-3-[(1R)-1-phenylethyl]imidazole-4-carboxylate
SMILESC=CC1(OC(=O)c2c(F)ncn2[C@H](C)c2ccccc2)CCCC1
InChIInChI=1S/C19H21FN2O2/c1-3-19(11-7-8-12-19)24-18(23)16-17(20)21-13-22(16)14(2)15-9-5-4-6-10-15/h3-6,9-10,13-14H,1,7-8,11-12H2,2H3/t14-/m1/s1
InChIKeyJFSTYFFNBOYTMU-CQSZACIVSA-N
MW328.39 g/mol
LogP4.29
Rot. Bonds5

About (1-ethenylcyclopentyl) 5-fluoro-3-[(1R)-1-phenylethyl]imidazole-4-carboxylate

(1-ethenylcyclopentyl) 5-fluoro-3-[(1R)-1-phenylethyl]imidazole-4-carboxylate (PubChem CID 139383408) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is (1-ethenylcyclopentyl) 5-fluoro-3-[(1R)-1-phenylethyl]imidazole-4-carboxylate.

Molecular Properties

Compound Name(1-ethenylcyclopentyl) 5-fluoro-3-[(1R)-1-phenylethyl]imidazole-4-carboxylate
PubChem CID139383408
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name(1-ethenylcyclopentyl) 5-fluoro-3-[(1R)-1-phenylethyl]imidazole-4-carboxylate
SMILESC=CC1(OC(=O)c2c(F)ncn2[C@H](C)c2ccccc2)CCCC1
InChIInChI=1S/C19H21FN2O2/c1-3-19(11-7-8-12-19)24-18(23)16-17(20)21-13-22(16)14(2)15-9-5-4-6-10-15/h3-6,9-10,13-14H,1,7-8,11-12H2,2H3/t14-/m1/s1
InChIKeyJFSTYFFNBOYTMU-CQSZACIVSA-N
XLogP4.29
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-ethenylcyclopentyl) 5-fluoro-3-[(1R)-1-phenylethyl]imidazole-4-carboxylate?
The IUPAC name of (1-ethenylcyclopentyl) 5-fluoro-3-[(1R)-1-phenylethyl]imidazole-4-carboxylate (CID 139383408) is (1-ethenylcyclopentyl) 5-fluoro-3-[(1R)-1-phenylethyl]imidazole-4-carboxylate.
What is the SMILES notation for (1-ethenylcyclopentyl) 5-fluoro-3-[(1R)-1-phenylethyl]imidazole-4-carboxylate?
The canonical SMILES for (1-ethenylcyclopentyl) 5-fluoro-3-[(1R)-1-phenylethyl]imidazole-4-carboxylate is C=CC1(OC(=O)c2c(F)ncn2[C@H](C)c2ccccc2)CCCC1.
What is the InChIKey of (1-ethenylcyclopentyl) 5-fluoro-3-[(1R)-1-phenylethyl]imidazole-4-carboxylate?
The InChIKey is JFSTYFFNBOYTMU-CQSZACIVSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-3-19(11-7-8-12-19)24-18(23)16-17(20)21-13-22(16)14(2)15-9-5-4-6-10-15/h3-6,9-10,13-14H,1,7-8,11-12H2,2H3/t14-/m1/s1.
What are the key properties of (1-ethenylcyclopentyl) 5-fluoro-3-[(1R)-1-phenylethyl]imidazole-4-carboxylate?
(1-ethenylcyclopentyl) 5-fluoro-3-[(1R)-1-phenylethyl]imidazole-4-carboxylate has a molecular weight of 328.39 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethenylcyclopentyl) 5-fluoro-3-[(1R)-1-phenylethyl]imidazole-4-carboxylate is sourced from PubChem (CID 139383408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).