1-[(3,5-difluorophenyl)methyl]imidazole

C10H8F2N2 — CID 11830301

IUPAC1-[(3,5-difluorophenyl)methyl]imidazole
SMILESFc1cc(F)cc(Cn2ccnc2)c1
InChIInChI=1S/C10H8F2N2/c11-9-3-8(4-10(12)5-9)6-14-2-1-13-7-14/h1-5,7H,6H2
InChIKeyHGEAQRQBZSYPGD-UHFFFAOYSA-N
MW194.18 g/mol
LogP2.21
Rot. Bonds2

About 1-[(3,5-difluorophenyl)methyl]imidazole

1-[(3,5-difluorophenyl)methyl]imidazole (PubChem CID 11830301) has the molecular formula C10H8F2N2 and a molecular weight of 194.18 g/mol. Its IUPAC name is 1-[(3,5-difluorophenyl)methyl]imidazole.

Molecular Properties

Compound Name1-[(3,5-difluorophenyl)methyl]imidazole
PubChem CID11830301
Molecular FormulaC10H8F2N2
Molecular Weight194.18 g/mol
Exact Mass194.07
IUPAC Name1-[(3,5-difluorophenyl)methyl]imidazole
SMILESFc1cc(F)cc(Cn2ccnc2)c1
InChIInChI=1S/C10H8F2N2/c11-9-3-8(4-10(12)5-9)6-14-2-1-13-7-14/h1-5,7H,6H2
InChIKeyHGEAQRQBZSYPGD-UHFFFAOYSA-N
XLogP2.21
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.18
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-difluorophenyl)methyl]imidazole?
The IUPAC name of 1-[(3,5-difluorophenyl)methyl]imidazole (CID 11830301) is 1-[(3,5-difluorophenyl)methyl]imidazole.
What is the SMILES notation for 1-[(3,5-difluorophenyl)methyl]imidazole?
The canonical SMILES for 1-[(3,5-difluorophenyl)methyl]imidazole is Fc1cc(F)cc(Cn2ccnc2)c1.
What is the InChIKey of 1-[(3,5-difluorophenyl)methyl]imidazole?
The InChIKey is HGEAQRQBZSYPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2/c11-9-3-8(4-10(12)5-9)6-14-2-1-13-7-14/h1-5,7H,6H2.
What are the key properties of 1-[(3,5-difluorophenyl)methyl]imidazole?
1-[(3,5-difluorophenyl)methyl]imidazole has a molecular weight of 194.18 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-difluorophenyl)methyl]imidazole is sourced from PubChem (CID 11830301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).