1-(1,1,3-trifluoropropan-2-yl)imidazole-2-carboxamide

C7H8F3N3O — CID 118357000

IUPAC1-(1,1,3-trifluoropropan-2-yl)imidazole-2-carboxamide
SMILESNC(=O)c1nccn1C(CF)C(F)F
InChIInChI=1S/C7H8F3N3O/c8-3-4(5(9)10)13-2-1-12-7(13)6(11)14/h1-2,4-5H,3H2,(H2,11,14)
InChIKeyIDPBGQXAGOJPKC-UHFFFAOYSA-N
MW207.16 g/mol
LogP0.76
Rot. Bonds4

About 1-(1,1,3-trifluoropropan-2-yl)imidazole-2-carboxamide

1-(1,1,3-trifluoropropan-2-yl)imidazole-2-carboxamide (PubChem CID 118357000) has the molecular formula C7H8F3N3O and a molecular weight of 207.16 g/mol. Its IUPAC name is 1-(1,1,3-trifluoropropan-2-yl)imidazole-2-carboxamide.

Molecular Properties

Compound Name1-(1,1,3-trifluoropropan-2-yl)imidazole-2-carboxamide
PubChem CID118357000
Molecular FormulaC7H8F3N3O
Molecular Weight207.16 g/mol
Exact Mass207.06
IUPAC Name1-(1,1,3-trifluoropropan-2-yl)imidazole-2-carboxamide
SMILESNC(=O)c1nccn1C(CF)C(F)F
InChIInChI=1S/C7H8F3N3O/c8-3-4(5(9)10)13-2-1-12-7(13)6(11)14/h1-2,4-5H,3H2,(H2,11,14)
InChIKeyIDPBGQXAGOJPKC-UHFFFAOYSA-N
XLogP0.76
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.16
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1,3-trifluoropropan-2-yl)imidazole-2-carboxamide?
The IUPAC name of 1-(1,1,3-trifluoropropan-2-yl)imidazole-2-carboxamide (CID 118357000) is 1-(1,1,3-trifluoropropan-2-yl)imidazole-2-carboxamide.
What is the SMILES notation for 1-(1,1,3-trifluoropropan-2-yl)imidazole-2-carboxamide?
The canonical SMILES for 1-(1,1,3-trifluoropropan-2-yl)imidazole-2-carboxamide is NC(=O)c1nccn1C(CF)C(F)F.
What is the InChIKey of 1-(1,1,3-trifluoropropan-2-yl)imidazole-2-carboxamide?
The InChIKey is IDPBGQXAGOJPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O/c8-3-4(5(9)10)13-2-1-12-7(13)6(11)14/h1-2,4-5H,3H2,(H2,11,14).
What are the key properties of 1-(1,1,3-trifluoropropan-2-yl)imidazole-2-carboxamide?
1-(1,1,3-trifluoropropan-2-yl)imidazole-2-carboxamide has a molecular weight of 207.16 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,3-trifluoropropan-2-yl)imidazole-2-carboxamide is sourced from PubChem (CID 118357000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).