5-(3,3-difluoroazetidine-1-carbonyl)-1H-imidazole-4-carboxamide

C8H8F2N4O2 — CID 122679232

IUPAC5-(3,3-difluoroazetidine-1-carbonyl)-1H-imidazole-4-carboxamide
SMILESNC(=O)c1nc[nH]c1C(=O)N1CC(F)(F)C1
InChIInChI=1S/C8H8F2N4O2/c9-8(10)1-14(2-8)7(16)5-4(6(11)15)12-3-13-5/h3H,1-2H2,(H2,11,15)(H,12,13)
InChIKeyKXZOAMLSYBENIX-UHFFFAOYSA-N
MW230.17 g/mol
LogP-0.40
Rot. Bonds2

About 5-(3,3-difluoroazetidine-1-carbonyl)-1H-imidazole-4-carboxamide

5-(3,3-difluoroazetidine-1-carbonyl)-1H-imidazole-4-carboxamide (PubChem CID 122679232) has the molecular formula C8H8F2N4O2 and a molecular weight of 230.17 g/mol. Its IUPAC name is 5-(3,3-difluoroazetidine-1-carbonyl)-1H-imidazole-4-carboxamide.

Molecular Properties

Compound Name5-(3,3-difluoroazetidine-1-carbonyl)-1H-imidazole-4-carboxamide
PubChem CID122679232
Molecular FormulaC8H8F2N4O2
Molecular Weight230.17 g/mol
Exact Mass230.06
IUPAC Name5-(3,3-difluoroazetidine-1-carbonyl)-1H-imidazole-4-carboxamide
SMILESNC(=O)c1nc[nH]c1C(=O)N1CC(F)(F)C1
InChIInChI=1S/C8H8F2N4O2/c9-8(10)1-14(2-8)7(16)5-4(6(11)15)12-3-13-5/h3H,1-2H2,(H2,11,15)(H,12,13)
InChIKeyKXZOAMLSYBENIX-UHFFFAOYSA-N
XLogP-0.40
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.17
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3,3-difluoroazetidine-1-carbonyl)-1H-imidazole-4-carboxamide?
The IUPAC name of 5-(3,3-difluoroazetidine-1-carbonyl)-1H-imidazole-4-carboxamide (CID 122679232) is 5-(3,3-difluoroazetidine-1-carbonyl)-1H-imidazole-4-carboxamide.
What is the SMILES notation for 5-(3,3-difluoroazetidine-1-carbonyl)-1H-imidazole-4-carboxamide?
The canonical SMILES for 5-(3,3-difluoroazetidine-1-carbonyl)-1H-imidazole-4-carboxamide is NC(=O)c1nc[nH]c1C(=O)N1CC(F)(F)C1.
What is the InChIKey of 5-(3,3-difluoroazetidine-1-carbonyl)-1H-imidazole-4-carboxamide?
The InChIKey is KXZOAMLSYBENIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N4O2/c9-8(10)1-14(2-8)7(16)5-4(6(11)15)12-3-13-5/h3H,1-2H2,(H2,11,15)(H,12,13).
What are the key properties of 5-(3,3-difluoroazetidine-1-carbonyl)-1H-imidazole-4-carboxamide?
5-(3,3-difluoroazetidine-1-carbonyl)-1H-imidazole-4-carboxamide has a molecular weight of 230.17 g/mol, XLogP of -0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-difluoroazetidine-1-carbonyl)-1H-imidazole-4-carboxamide is sourced from PubChem (CID 122679232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).