N-(2,3-difluorophenyl)imidazole-1-carboxamide

C10H7F2N3O — CID 81269096

IUPACN-(2,3-difluorophenyl)imidazole-1-carboxamide
SMILESO=C(Nc1cccc(F)c1F)n1ccnc1
InChIInChI=1S/C10H7F2N3O/c11-7-2-1-3-8(9(7)12)14-10(16)15-5-4-13-6-15/h1-6H,(H,14,16)
InChIKeyIUFYMKMNKHKEPZ-UHFFFAOYSA-N
MW223.18 g/mol
LogP2.24
Rot. Bonds1

About N-(2,3-difluorophenyl)imidazole-1-carboxamide

N-(2,3-difluorophenyl)imidazole-1-carboxamide (PubChem CID 81269096) has the molecular formula C10H7F2N3O and a molecular weight of 223.18 g/mol. Its IUPAC name is N-(2,3-difluorophenyl)imidazole-1-carboxamide.

Molecular Properties

Compound NameN-(2,3-difluorophenyl)imidazole-1-carboxamide
PubChem CID81269096
Molecular FormulaC10H7F2N3O
Molecular Weight223.18 g/mol
Exact Mass223.06
IUPAC NameN-(2,3-difluorophenyl)imidazole-1-carboxamide
SMILESO=C(Nc1cccc(F)c1F)n1ccnc1
InChIInChI=1S/C10H7F2N3O/c11-7-2-1-3-8(9(7)12)14-10(16)15-5-4-13-6-15/h1-6H,(H,14,16)
InChIKeyIUFYMKMNKHKEPZ-UHFFFAOYSA-N
XLogP2.24
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.18
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-difluorophenyl)imidazole-1-carboxamide?
The IUPAC name of N-(2,3-difluorophenyl)imidazole-1-carboxamide (CID 81269096) is N-(2,3-difluorophenyl)imidazole-1-carboxamide.
What is the SMILES notation for N-(2,3-difluorophenyl)imidazole-1-carboxamide?
The canonical SMILES for N-(2,3-difluorophenyl)imidazole-1-carboxamide is O=C(Nc1cccc(F)c1F)n1ccnc1.
What is the InChIKey of N-(2,3-difluorophenyl)imidazole-1-carboxamide?
The InChIKey is IUFYMKMNKHKEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2N3O/c11-7-2-1-3-8(9(7)12)14-10(16)15-5-4-13-6-15/h1-6H,(H,14,16).
What are the key properties of N-(2,3-difluorophenyl)imidazole-1-carboxamide?
N-(2,3-difluorophenyl)imidazole-1-carboxamide has a molecular weight of 223.18 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-difluorophenyl)imidazole-1-carboxamide is sourced from PubChem (CID 81269096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).