N-(2,2,3,3,3-pentafluoropropyl)-1H-imidazole-5-carboxamide

C7H6F5N3O — CID 91443981

IUPACN-(2,2,3,3,3-pentafluoropropyl)-1H-imidazole-5-carboxamide
SMILESO=C(NCC(F)(F)C(F)(F)F)c1cnc[nH]1
InChIInChI=1S/C7H6F5N3O/c8-6(9,7(10,11)12)2-14-5(16)4-1-13-3-15-4/h1,3H,2H2,(H,13,15)(H,14,16)
InChIKeyAIHHVZDFMRWLGM-UHFFFAOYSA-N
MW243.13 g/mol
LogP1.34
Rot. Bonds3

About N-(2,2,3,3,3-pentafluoropropyl)-1H-imidazole-5-carboxamide

N-(2,2,3,3,3-pentafluoropropyl)-1H-imidazole-5-carboxamide (PubChem CID 91443981) has the molecular formula C7H6F5N3O and a molecular weight of 243.13 g/mol. Its IUPAC name is N-(2,2,3,3,3-pentafluoropropyl)-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,2,3,3,3-pentafluoropropyl)-1H-imidazole-5-carboxamide
PubChem CID91443981
Molecular FormulaC7H6F5N3O
Molecular Weight243.13 g/mol
Exact Mass243.04
IUPAC NameN-(2,2,3,3,3-pentafluoropropyl)-1H-imidazole-5-carboxamide
SMILESO=C(NCC(F)(F)C(F)(F)F)c1cnc[nH]1
InChIInChI=1S/C7H6F5N3O/c8-6(9,7(10,11)12)2-14-5(16)4-1-13-3-15-4/h1,3H,2H2,(H,13,15)(H,14,16)
InChIKeyAIHHVZDFMRWLGM-UHFFFAOYSA-N
XLogP1.34
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.13
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1H-imidazole-5-carboxamide
CID 152917
1H-imidazole-5-carbohydrazide
CID 225355
2-cyclopropyl-1H-imidazole-4-carboxamide
CID 71755948
5-N-[4-(diaminomethylideneamino)butyl]-2-N-pentyl-1H-imidazole-2,5-dicarboxamide
CID 155201791
5-N-[4-(diaminomethylideneamino)butyl]-2-N-hexyl-1H-imidazole-2,5-dicarboxamide
CID 155201882
5H,6H,7H,8H-imidazo(1,5-a)pyrazin-8-one
CID 55276476
7H,8H-imidazo[1,5-a]pyrazin-8-one
CID 308341
2-methyl-1H-imidazole-4-carboxamide
CID 14517188
N-Methyl-1H-imidazole-4-carboxamide
CID 565659
5-N-[4-(diaminomethylideneamino)butyl]-2-N-[2-(methylamino)-2-oxoethyl]-1H-imidazole-2,5-dicarboxamide
CID 168297962
2-(1H-imidazol-2-yl)-1H-imidazole-5-carboxamide
CID 44339733
2,2,2-Trifluoro-1-(1H-imidazol-4-yl)ethanone
CID 565427

Frequently Asked Questions

What is the IUPAC name of N-(2,2,3,3,3-pentafluoropropyl)-1H-imidazole-5-carboxamide?
The IUPAC name of N-(2,2,3,3,3-pentafluoropropyl)-1H-imidazole-5-carboxamide (CID 91443981) is N-(2,2,3,3,3-pentafluoropropyl)-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-(2,2,3,3,3-pentafluoropropyl)-1H-imidazole-5-carboxamide?
The canonical SMILES for N-(2,2,3,3,3-pentafluoropropyl)-1H-imidazole-5-carboxamide is O=C(NCC(F)(F)C(F)(F)F)c1cnc[nH]1.
What is the InChIKey of N-(2,2,3,3,3-pentafluoropropyl)-1H-imidazole-5-carboxamide?
The InChIKey is AIHHVZDFMRWLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F5N3O/c8-6(9,7(10,11)12)2-14-5(16)4-1-13-3-15-4/h1,3H,2H2,(H,13,15)(H,14,16).
What are the key properties of N-(2,2,3,3,3-pentafluoropropyl)-1H-imidazole-5-carboxamide?
N-(2,2,3,3,3-pentafluoropropyl)-1H-imidazole-5-carboxamide has a molecular weight of 243.13 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,3,3,3-pentafluoropropyl)-1H-imidazole-5-carboxamide is sourced from PubChem (CID 91443981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).