[4-(5-fluoro-3-pyridinyl)-2-methylimidazol-1-yl]-methylcarbamic acid

C11H11FN4O2 — CID 67499798

IUPAC[4-(5-fluoro-3-pyridinyl)-2-methylimidazol-1-yl]-methylcarbamic acid
SMILESCc1nc(-c2cncc(F)c2)cn1N(C)C(=O)O
InChIInChI=1S/C11H11FN4O2/c1-7-14-10(6-16(7)15(2)11(17)18)8-3-9(12)5-13-4-8/h3-6H,1-2H3,(H,17,18)
InChIKeyNVASMBLIBVVQAZ-UHFFFAOYSA-N
MW250.23 g/mol
LogP1.64
Rot. Bonds2

About [4-(5-fluoro-3-pyridinyl)-2-methylimidazol-1-yl]-methylcarbamic acid

[4-(5-fluoro-3-pyridinyl)-2-methylimidazol-1-yl]-methylcarbamic acid (PubChem CID 67499798) 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]-methylcarbamic acid.

Molecular Properties

Compound Name[4-(5-fluoro-3-pyridinyl)-2-methylimidazol-1-yl]-methylcarbamic acid
PubChem CID67499798
Molecular FormulaC11H11FN4O2
Molecular Weight250.23 g/mol
Exact Mass250.09
IUPAC Name[4-(5-fluoro-3-pyridinyl)-2-methylimidazol-1-yl]-methylcarbamic acid
SMILESCc1nc(-c2cncc(F)c2)cn1N(C)C(=O)O
InChIInChI=1S/C11H11FN4O2/c1-7-14-10(6-16(7)15(2)11(17)18)8-3-9(12)5-13-4-8/h3-6H,1-2H3,(H,17,18)
InChIKeyNVASMBLIBVVQAZ-UHFFFAOYSA-N
XLogP1.64
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(5-fluoro-3-pyridinyl)-2-methylimidazol-1-yl]-methylcarbamic acid?
The IUPAC name of [4-(5-fluoro-3-pyridinyl)-2-methylimidazol-1-yl]-methylcarbamic acid (CID 67499798) is [4-(5-fluoro-3-pyridinyl)-2-methylimidazol-1-yl]-methylcarbamic acid.
What is the SMILES notation for [4-(5-fluoro-3-pyridinyl)-2-methylimidazol-1-yl]-methylcarbamic acid?
The canonical SMILES for [4-(5-fluoro-3-pyridinyl)-2-methylimidazol-1-yl]-methylcarbamic acid is Cc1nc(-c2cncc(F)c2)cn1N(C)C(=O)O.
What is the InChIKey of [4-(5-fluoro-3-pyridinyl)-2-methylimidazol-1-yl]-methylcarbamic acid?
The InChIKey is NVASMBLIBVVQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O2/c1-7-14-10(6-16(7)15(2)11(17)18)8-3-9(12)5-13-4-8/h3-6H,1-2H3,(H,17,18).
What are the key properties of [4-(5-fluoro-3-pyridinyl)-2-methylimidazol-1-yl]-methylcarbamic acid?
[4-(5-fluoro-3-pyridinyl)-2-methylimidazol-1-yl]-methylcarbamic acid has a molecular weight of 250.23 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-fluoro-3-pyridinyl)-2-methylimidazol-1-yl]-methylcarbamic acid is sourced from PubChem (CID 67499798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).