[4-(5-fluoro-3-pyridinyl)-2-methylimidazol-1-yl] N-methylcarbamate

C11H11FN4O2 — CID 140636183

IUPAC[4-(5-fluoro-3-pyridinyl)-2-methylimidazol-1-yl] N-methylcarbamate
SMILESCNC(=O)On1cc(-c2cncc(F)c2)nc1C
InChIInChI=1S/C11H11FN4O2/c1-7-15-10(6-16(7)18-11(17)13-2)8-3-9(12)5-14-4-8/h3-6H,1-2H3,(H,13,17)
InChIKeyJXNARUBPDKDNRM-UHFFFAOYSA-N
MW250.23 g/mol
LogP1.16
Rot. Bonds2

About [4-(5-fluoro-3-pyridinyl)-2-methylimidazol-1-yl] N-methylcarbamate

[4-(5-fluoro-3-pyridinyl)-2-methylimidazol-1-yl] N-methylcarbamate (PubChem CID 140636183) has the molecular formula C11H11FN4O2 and a molecular weight of 250.23 g/mol. Its IUPAC name is [4-(5-fluoro-3-pyridinyl)-2-methylimidazol-1-yl] N-methylcarbamate.

Molecular Properties

Compound Name[4-(5-fluoro-3-pyridinyl)-2-methylimidazol-1-yl] N-methylcarbamate
PubChem CID140636183
Molecular FormulaC11H11FN4O2
Molecular Weight250.23 g/mol
Exact Mass250.09
IUPAC Name[4-(5-fluoro-3-pyridinyl)-2-methylimidazol-1-yl] N-methylcarbamate
SMILESCNC(=O)On1cc(-c2cncc(F)c2)nc1C
InChIInChI=1S/C11H11FN4O2/c1-7-15-10(6-16(7)18-11(17)13-2)8-3-9(12)5-14-4-8/h3-6H,1-2H3,(H,13,17)
InChIKeyJXNARUBPDKDNRM-UHFFFAOYSA-N
XLogP1.16
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(5-fluoro-3-pyridinyl)-2-methylimidazol-1-yl] N-methylcarbamate?
The IUPAC name of [4-(5-fluoro-3-pyridinyl)-2-methylimidazol-1-yl] N-methylcarbamate (CID 140636183) is [4-(5-fluoro-3-pyridinyl)-2-methylimidazol-1-yl] N-methylcarbamate.
What is the SMILES notation for [4-(5-fluoro-3-pyridinyl)-2-methylimidazol-1-yl] N-methylcarbamate?
The canonical SMILES for [4-(5-fluoro-3-pyridinyl)-2-methylimidazol-1-yl] N-methylcarbamate is CNC(=O)On1cc(-c2cncc(F)c2)nc1C.
What is the InChIKey of [4-(5-fluoro-3-pyridinyl)-2-methylimidazol-1-yl] N-methylcarbamate?
The InChIKey is JXNARUBPDKDNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O2/c1-7-15-10(6-16(7)18-11(17)13-2)8-3-9(12)5-14-4-8/h3-6H,1-2H3,(H,13,17).
What are the key properties of [4-(5-fluoro-3-pyridinyl)-2-methylimidazol-1-yl] N-methylcarbamate?
[4-(5-fluoro-3-pyridinyl)-2-methylimidazol-1-yl] N-methylcarbamate has a molecular weight of 250.23 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-fluoro-3-pyridinyl)-2-methylimidazol-1-yl] N-methylcarbamate is sourced from PubChem (CID 140636183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).