1-[(2-fluorophenyl)methyl]imidazole-4,5-dicarboxamide

C12H11FN4O2 — CID 122517685

IUPAC1-[(2-fluorophenyl)methyl]imidazole-4,5-dicarboxamide
SMILESNC(=O)c1ncn(Cc2ccccc2F)c1C(N)=O
InChIInChI=1S/C12H11FN4O2/c13-8-4-2-1-3-7(8)5-17-6-16-9(11(14)18)10(17)12(15)19/h1-4,6H,5H2,(H2,14,18)(H2,15,19)
InChIKeyXCWPOAGZNLMNAQ-UHFFFAOYSA-N
MW262.24 g/mol
LogP0.27
Rot. Bonds4

About 1-[(2-fluorophenyl)methyl]imidazole-4,5-dicarboxamide

1-[(2-fluorophenyl)methyl]imidazole-4,5-dicarboxamide (PubChem CID 122517685) has the molecular formula C12H11FN4O2 and a molecular weight of 262.24 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]imidazole-4,5-dicarboxamide
PubChem CID122517685
Molecular FormulaC12H11FN4O2
Molecular Weight262.24 g/mol
Exact Mass262.09
IUPAC Name1-[(2-fluorophenyl)methyl]imidazole-4,5-dicarboxamide
SMILESNC(=O)c1ncn(Cc2ccccc2F)c1C(N)=O
InChIInChI=1S/C12H11FN4O2/c13-8-4-2-1-3-7(8)5-17-6-16-9(11(14)18)10(17)12(15)19/h1-4,6H,5H2,(H2,14,18)(H2,15,19)
InChIKeyXCWPOAGZNLMNAQ-UHFFFAOYSA-N
XLogP0.27
TPSA104.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]imidazole-4,5-dicarboxamide?
The IUPAC name of 1-[(2-fluorophenyl)methyl]imidazole-4,5-dicarboxamide (CID 122517685) is 1-[(2-fluorophenyl)methyl]imidazole-4,5-dicarboxamide.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]imidazole-4,5-dicarboxamide?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]imidazole-4,5-dicarboxamide is NC(=O)c1ncn(Cc2ccccc2F)c1C(N)=O.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]imidazole-4,5-dicarboxamide?
The InChIKey is XCWPOAGZNLMNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4O2/c13-8-4-2-1-3-7(8)5-17-6-16-9(11(14)18)10(17)12(15)19/h1-4,6H,5H2,(H2,14,18)(H2,15,19).
What are the key properties of 1-[(2-fluorophenyl)methyl]imidazole-4,5-dicarboxamide?
1-[(2-fluorophenyl)methyl]imidazole-4,5-dicarboxamide has a molecular weight of 262.24 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]imidazole-4,5-dicarboxamide is sourced from PubChem (CID 122517685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).