cyclobutylmethyl N-[2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]ethyl]carbamate

C17H20FN3O2 — CID 67214697

IUPACcyclobutylmethyl N-[2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]ethyl]carbamate
SMILESO=C(NCCc1ncc(-c2ccc(F)cc2)[nH]1)OCC1CCC1
InChIInChI=1S/C17H20FN3O2/c18-14-6-4-13(5-7-14)15-10-20-16(21-15)8-9-19-17(22)23-11-12-2-1-3-12/h4-7,10,12H,1-3,8-9,11H2,(H,19,22)(H,20,21)
InChIKeyHUSZYUDLQMQCMM-UHFFFAOYSA-N
MW317.36 g/mol
LogP3.28
Rot. Bonds6

About cyclobutylmethyl N-[2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]ethyl]carbamate

cyclobutylmethyl N-[2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]ethyl]carbamate (PubChem CID 67214697) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is cyclobutylmethyl N-[2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]ethyl]carbamate.

Molecular Properties

Compound Namecyclobutylmethyl N-[2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]ethyl]carbamate
PubChem CID67214697
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Namecyclobutylmethyl N-[2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]ethyl]carbamate
SMILESO=C(NCCc1ncc(-c2ccc(F)cc2)[nH]1)OCC1CCC1
InChIInChI=1S/C17H20FN3O2/c18-14-6-4-13(5-7-14)15-10-20-16(21-15)8-9-19-17(22)23-11-12-2-1-3-12/h4-7,10,12H,1-3,8-9,11H2,(H,19,22)(H,20,21)
InChIKeyHUSZYUDLQMQCMM-UHFFFAOYSA-N
XLogP3.28
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclobutylmethyl N-[2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]ethyl]carbamate?
The IUPAC name of cyclobutylmethyl N-[2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]ethyl]carbamate (CID 67214697) is cyclobutylmethyl N-[2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]ethyl]carbamate.
What is the SMILES notation for cyclobutylmethyl N-[2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]ethyl]carbamate?
The canonical SMILES for cyclobutylmethyl N-[2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]ethyl]carbamate is O=C(NCCc1ncc(-c2ccc(F)cc2)[nH]1)OCC1CCC1.
What is the InChIKey of cyclobutylmethyl N-[2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]ethyl]carbamate?
The InChIKey is HUSZYUDLQMQCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2/c18-14-6-4-13(5-7-14)15-10-20-16(21-15)8-9-19-17(22)23-11-12-2-1-3-12/h4-7,10,12H,1-3,8-9,11H2,(H,19,22)(H,20,21).
What are the key properties of cyclobutylmethyl N-[2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]ethyl]carbamate?
cyclobutylmethyl N-[2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]ethyl]carbamate has a molecular weight of 317.36 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutylmethyl N-[2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]ethyl]carbamate is sourced from PubChem (CID 67214697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).