1-[3-(difluoromethyl)-4-fluorophenyl]-4-[(2-methylimidazol-1-yl)methyl]imidazole;hydrochloride

C15H14ClF3N4 — CID 141054724

IUPAC1-[3-(difluoromethyl)-4-fluorophenyl]-4-[(2-methylimidazol-1-yl)methyl]imidazole;hydrochloride
SMILESCc1nccn1Cc1cn(-c2ccc(F)c(C(F)F)c2)cn1.Cl
InChIInChI=1S/C15H13F3N4.ClH/c1-10-19-4-5-21(10)7-11-8-22(9-20-11)12-2-3-14(16)13(6-12)15(17)18;/h2-6,8-9,15H,7H2,1H3;1H
InChIKeySZSZXDQJAKQIJV-UHFFFAOYSA-N
MW342.75 g/mol
LogP3.92
Rot. Bonds4

About 1-[3-(difluoromethyl)-4-fluorophenyl]-4-[(2-methylimidazol-1-yl)methyl]imidazole;hydrochloride

1-[3-(difluoromethyl)-4-fluorophenyl]-4-[(2-methylimidazol-1-yl)methyl]imidazole;hydrochloride (PubChem CID 141054724) has the molecular formula C15H14ClF3N4 and a molecular weight of 342.75 g/mol. Its IUPAC name is 1-[3-(difluoromethyl)-4-fluorophenyl]-4-[(2-methylimidazol-1-yl)methyl]imidazole;hydrochloride.

Molecular Properties

Compound Name1-[3-(difluoromethyl)-4-fluorophenyl]-4-[(2-methylimidazol-1-yl)methyl]imidazole;hydrochloride
PubChem CID141054724
Molecular FormulaC15H14ClF3N4
Molecular Weight342.75 g/mol
Exact Mass342.09
IUPAC Name1-[3-(difluoromethyl)-4-fluorophenyl]-4-[(2-methylimidazol-1-yl)methyl]imidazole;hydrochloride
SMILESCc1nccn1Cc1cn(-c2ccc(F)c(C(F)F)c2)cn1.Cl
InChIInChI=1S/C15H13F3N4.ClH/c1-10-19-4-5-21(10)7-11-8-22(9-20-11)12-2-3-14(16)13(6-12)15(17)18;/h2-6,8-9,15H,7H2,1H3;1H
InChIKeySZSZXDQJAKQIJV-UHFFFAOYSA-N
XLogP3.92
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.75
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethyl)-4-fluorophenyl]-4-[(2-methylimidazol-1-yl)methyl]imidazole;hydrochloride?
The IUPAC name of 1-[3-(difluoromethyl)-4-fluorophenyl]-4-[(2-methylimidazol-1-yl)methyl]imidazole;hydrochloride (CID 141054724) is 1-[3-(difluoromethyl)-4-fluorophenyl]-4-[(2-methylimidazol-1-yl)methyl]imidazole;hydrochloride.
What is the SMILES notation for 1-[3-(difluoromethyl)-4-fluorophenyl]-4-[(2-methylimidazol-1-yl)methyl]imidazole;hydrochloride?
The canonical SMILES for 1-[3-(difluoromethyl)-4-fluorophenyl]-4-[(2-methylimidazol-1-yl)methyl]imidazole;hydrochloride is Cc1nccn1Cc1cn(-c2ccc(F)c(C(F)F)c2)cn1.Cl.
What is the InChIKey of 1-[3-(difluoromethyl)-4-fluorophenyl]-4-[(2-methylimidazol-1-yl)methyl]imidazole;hydrochloride?
The InChIKey is SZSZXDQJAKQIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4.ClH/c1-10-19-4-5-21(10)7-11-8-22(9-20-11)12-2-3-14(16)13(6-12)15(17)18;/h2-6,8-9,15H,7H2,1H3;1H.
What are the key properties of 1-[3-(difluoromethyl)-4-fluorophenyl]-4-[(2-methylimidazol-1-yl)methyl]imidazole;hydrochloride?
1-[3-(difluoromethyl)-4-fluorophenyl]-4-[(2-methylimidazol-1-yl)methyl]imidazole;hydrochloride has a molecular weight of 342.75 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethyl)-4-fluorophenyl]-4-[(2-methylimidazol-1-yl)methyl]imidazole;hydrochloride is sourced from PubChem (CID 141054724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).