1-(2-chlorophenyl)-2-(difluoromethyl)imidazole

C10H7ClF2N2 — CID 171489259

IUPAC1-(2-chlorophenyl)-2-(difluoromethyl)imidazole
SMILESFC(F)c1nccn1-c1ccccc1Cl
InChIInChI=1S/C10H7ClF2N2/c11-7-3-1-2-4-8(7)15-6-5-14-10(15)9(12)13/h1-6,9H
InChIKeyUAEJHKTUAWXMKX-UHFFFAOYSA-N
MW228.63 g/mol
LogP3.46
Rot. Bonds2

About 1-(2-chlorophenyl)-2-(difluoromethyl)imidazole

1-(2-chlorophenyl)-2-(difluoromethyl)imidazole (PubChem CID 171489259) has the molecular formula C10H7ClF2N2 and a molecular weight of 228.63 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-(difluoromethyl)imidazole.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-(difluoromethyl)imidazole
PubChem CID171489259
Molecular FormulaC10H7ClF2N2
Molecular Weight228.63 g/mol
Exact Mass228.03
IUPAC Name1-(2-chlorophenyl)-2-(difluoromethyl)imidazole
SMILESFC(F)c1nccn1-c1ccccc1Cl
InChIInChI=1S/C10H7ClF2N2/c11-7-3-1-2-4-8(7)15-6-5-14-10(15)9(12)13/h1-6,9H
InChIKeyUAEJHKTUAWXMKX-UHFFFAOYSA-N
XLogP3.46
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.63
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-(difluoromethyl)imidazole?
The IUPAC name of 1-(2-chlorophenyl)-2-(difluoromethyl)imidazole (CID 171489259) is 1-(2-chlorophenyl)-2-(difluoromethyl)imidazole.
What is the SMILES notation for 1-(2-chlorophenyl)-2-(difluoromethyl)imidazole?
The canonical SMILES for 1-(2-chlorophenyl)-2-(difluoromethyl)imidazole is FC(F)c1nccn1-c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-2-(difluoromethyl)imidazole?
The InChIKey is UAEJHKTUAWXMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF2N2/c11-7-3-1-2-4-8(7)15-6-5-14-10(15)9(12)13/h1-6,9H.
What are the key properties of 1-(2-chlorophenyl)-2-(difluoromethyl)imidazole?
1-(2-chlorophenyl)-2-(difluoromethyl)imidazole has a molecular weight of 228.63 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-(difluoromethyl)imidazole is sourced from PubChem (CID 171489259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).