1-[3-(difluoromethyl)-4-fluorophenyl]-4-(imidazol-1-ylmethyl)imidazole;hydrochloride

C14H12ClF3N4 — CID 23445038

IUPAC1-[3-(difluoromethyl)-4-fluorophenyl]-4-(imidazol-1-ylmethyl)imidazole;hydrochloride
SMILESCl.Fc1ccc(-n2cnc(Cn3ccnc3)c2)cc1C(F)F
InChIInChI=1S/C14H11F3N4.ClH/c15-13-2-1-11(5-12(13)14(16)17)21-7-10(19-9-21)6-20-4-3-18-8-20;/h1-5,7-9,14H,6H2;1H
InChIKeyKVAUHOLFAJAZOT-UHFFFAOYSA-N
MW328.73 g/mol
LogP3.62
Rot. Bonds4

About 1-[3-(difluoromethyl)-4-fluorophenyl]-4-(imidazol-1-ylmethyl)imidazole;hydrochloride

1-[3-(difluoromethyl)-4-fluorophenyl]-4-(imidazol-1-ylmethyl)imidazole;hydrochloride (PubChem CID 23445038) has the molecular formula C14H12ClF3N4 and a molecular weight of 328.73 g/mol. Its IUPAC name is 1-[3-(difluoromethyl)-4-fluorophenyl]-4-(imidazol-1-ylmethyl)imidazole;hydrochloride.

Molecular Properties

Compound Name1-[3-(difluoromethyl)-4-fluorophenyl]-4-(imidazol-1-ylmethyl)imidazole;hydrochloride
PubChem CID23445038
Molecular FormulaC14H12ClF3N4
Molecular Weight328.73 g/mol
Exact Mass328.07
IUPAC Name1-[3-(difluoromethyl)-4-fluorophenyl]-4-(imidazol-1-ylmethyl)imidazole;hydrochloride
SMILESCl.Fc1ccc(-n2cnc(Cn3ccnc3)c2)cc1C(F)F
InChIInChI=1S/C14H11F3N4.ClH/c15-13-2-1-11(5-12(13)14(16)17)21-7-10(19-9-21)6-20-4-3-18-8-20;/h1-5,7-9,14H,6H2;1H
InChIKeyKVAUHOLFAJAZOT-UHFFFAOYSA-N
XLogP3.62
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.73
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[3-(difluoromethyl)-4-fluorophenyl]-4-(imidazol-1-ylmethyl)imidazole;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethyl)-4-fluorophenyl]-4-(imidazol-1-ylmethyl)imidazole;hydrochloride?
The IUPAC name of 1-[3-(difluoromethyl)-4-fluorophenyl]-4-(imidazol-1-ylmethyl)imidazole;hydrochloride (CID 23445038) is 1-[3-(difluoromethyl)-4-fluorophenyl]-4-(imidazol-1-ylmethyl)imidazole;hydrochloride.
What is the SMILES notation for 1-[3-(difluoromethyl)-4-fluorophenyl]-4-(imidazol-1-ylmethyl)imidazole;hydrochloride?
The canonical SMILES for 1-[3-(difluoromethyl)-4-fluorophenyl]-4-(imidazol-1-ylmethyl)imidazole;hydrochloride is Cl.Fc1ccc(-n2cnc(Cn3ccnc3)c2)cc1C(F)F.
What is the InChIKey of 1-[3-(difluoromethyl)-4-fluorophenyl]-4-(imidazol-1-ylmethyl)imidazole;hydrochloride?
The InChIKey is KVAUHOLFAJAZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4.ClH/c15-13-2-1-11(5-12(13)14(16)17)21-7-10(19-9-21)6-20-4-3-18-8-20;/h1-5,7-9,14H,6H2;1H.
What are the key properties of 1-[3-(difluoromethyl)-4-fluorophenyl]-4-(imidazol-1-ylmethyl)imidazole;hydrochloride?
1-[3-(difluoromethyl)-4-fluorophenyl]-4-(imidazol-1-ylmethyl)imidazole;hydrochloride has a molecular weight of 328.73 g/mol, XLogP of 3.62, 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-(imidazol-1-ylmethyl)imidazole;hydrochloride is sourced from PubChem (CID 23445038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).