phenyl N-[1-(2-fluorophenyl)imidazol-4-yl]carbamate

C16H12FN3O2 — CID 18005005

IUPACphenyl N-[1-(2-fluorophenyl)imidazol-4-yl]carbamate
SMILESO=C(Nc1cn(-c2ccccc2F)cn1)Oc1ccccc1
InChIInChI=1S/C16H12FN3O2/c17-13-8-4-5-9-14(13)20-10-15(18-11-20)19-16(21)22-12-6-2-1-3-7-12/h1-11H,(H,19,21)
InChIKeyKHSUZWFAFXUKEP-UHFFFAOYSA-N
MW297.29 g/mol
LogP3.62
Rot. Bonds3

About phenyl N-[1-(2-fluorophenyl)imidazol-4-yl]carbamate

phenyl N-[1-(2-fluorophenyl)imidazol-4-yl]carbamate (PubChem CID 18005005) has the molecular formula C16H12FN3O2 and a molecular weight of 297.29 g/mol. Its IUPAC name is phenyl N-[1-(2-fluorophenyl)imidazol-4-yl]carbamate.

Molecular Properties

Compound Namephenyl N-[1-(2-fluorophenyl)imidazol-4-yl]carbamate
PubChem CID18005005
Molecular FormulaC16H12FN3O2
Molecular Weight297.29 g/mol
Exact Mass297.09
IUPAC Namephenyl N-[1-(2-fluorophenyl)imidazol-4-yl]carbamate
SMILESO=C(Nc1cn(-c2ccccc2F)cn1)Oc1ccccc1
InChIInChI=1S/C16H12FN3O2/c17-13-8-4-5-9-14(13)20-10-15(18-11-20)19-16(21)22-12-6-2-1-3-7-12/h1-11H,(H,19,21)
InChIKeyKHSUZWFAFXUKEP-UHFFFAOYSA-N
XLogP3.62
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of phenyl N-[1-(2-fluorophenyl)imidazol-4-yl]carbamate?
The IUPAC name of phenyl N-[1-(2-fluorophenyl)imidazol-4-yl]carbamate (CID 18005005) is phenyl N-[1-(2-fluorophenyl)imidazol-4-yl]carbamate.
What is the SMILES notation for phenyl N-[1-(2-fluorophenyl)imidazol-4-yl]carbamate?
The canonical SMILES for phenyl N-[1-(2-fluorophenyl)imidazol-4-yl]carbamate is O=C(Nc1cn(-c2ccccc2F)cn1)Oc1ccccc1.
What is the InChIKey of phenyl N-[1-(2-fluorophenyl)imidazol-4-yl]carbamate?
The InChIKey is KHSUZWFAFXUKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O2/c17-13-8-4-5-9-14(13)20-10-15(18-11-20)19-16(21)22-12-6-2-1-3-7-12/h1-11H,(H,19,21).
What are the key properties of phenyl N-[1-(2-fluorophenyl)imidazol-4-yl]carbamate?
phenyl N-[1-(2-fluorophenyl)imidazol-4-yl]carbamate has a molecular weight of 297.29 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[1-(2-fluorophenyl)imidazol-4-yl]carbamate is sourced from PubChem (CID 18005005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).