5-(2,4-difluorophenyl)-1H-imidazole-2-carbonitrile

C10H5F2N3 — CID 116879884

IUPAC5-(2,4-difluorophenyl)-1H-imidazole-2-carbonitrile
SMILESN#Cc1ncc(-c2ccc(F)cc2F)[nH]1
InChIInChI=1S/C10H5F2N3/c11-6-1-2-7(8(12)3-6)9-5-14-10(4-13)15-9/h1-3,5H,(H,14,15)
InChIKeyQQDJSPBBXAMSJZ-UHFFFAOYSA-N
MW205.17 g/mol
LogP2.23
Rot. Bonds1

About 5-(2,4-difluorophenyl)-1H-imidazole-2-carbonitrile

5-(2,4-difluorophenyl)-1H-imidazole-2-carbonitrile (PubChem CID 116879884) has the molecular formula C10H5F2N3 and a molecular weight of 205.17 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)-1H-imidazole-2-carbonitrile.

Molecular Properties

Compound Name5-(2,4-difluorophenyl)-1H-imidazole-2-carbonitrile
PubChem CID116879884
Molecular FormulaC10H5F2N3
Molecular Weight205.17 g/mol
Exact Mass205.05
IUPAC Name5-(2,4-difluorophenyl)-1H-imidazole-2-carbonitrile
SMILESN#Cc1ncc(-c2ccc(F)cc2F)[nH]1
InChIInChI=1S/C10H5F2N3/c11-6-1-2-7(8(12)3-6)9-5-14-10(4-13)15-9/h1-3,5H,(H,14,15)
InChIKeyQQDJSPBBXAMSJZ-UHFFFAOYSA-N
XLogP2.23
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenyl)-1H-imidazole-2-carbonitrile?
The IUPAC name of 5-(2,4-difluorophenyl)-1H-imidazole-2-carbonitrile (CID 116879884) is 5-(2,4-difluorophenyl)-1H-imidazole-2-carbonitrile.
What is the SMILES notation for 5-(2,4-difluorophenyl)-1H-imidazole-2-carbonitrile?
The canonical SMILES for 5-(2,4-difluorophenyl)-1H-imidazole-2-carbonitrile is N#Cc1ncc(-c2ccc(F)cc2F)[nH]1.
What is the InChIKey of 5-(2,4-difluorophenyl)-1H-imidazole-2-carbonitrile?
The InChIKey is QQDJSPBBXAMSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F2N3/c11-6-1-2-7(8(12)3-6)9-5-14-10(4-13)15-9/h1-3,5H,(H,14,15).
What are the key properties of 5-(2,4-difluorophenyl)-1H-imidazole-2-carbonitrile?
5-(2,4-difluorophenyl)-1H-imidazole-2-carbonitrile has a molecular weight of 205.17 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenyl)-1H-imidazole-2-carbonitrile is sourced from PubChem (CID 116879884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).