1-[3-chloro-4-(trifluoromethoxy)phenyl]-4-(imidazol-1-ylmethyl)imidazole;hydrochloride

C14H11Cl2F3N4O — CID 23445094

IUPAC1-[3-chloro-4-(trifluoromethoxy)phenyl]-4-(imidazol-1-ylmethyl)imidazole;hydrochloride
SMILESCl.FC(F)(F)Oc1ccc(-n2cnc(Cn3ccnc3)c2)cc1Cl
InChIInChI=1S/C14H10ClF3N4O.ClH/c15-12-5-11(1-2-13(12)23-14(16,17)18)22-7-10(20-9-22)6-21-4-3-19-8-21;/h1-5,7-9H,6H2;1H
InChIKeyGSFKZZWRFGHAHP-UHFFFAOYSA-N
MW379.17 g/mol
LogP4.09
Rot. Bonds4

About 1-[3-chloro-4-(trifluoromethoxy)phenyl]-4-(imidazol-1-ylmethyl)imidazole;hydrochloride

1-[3-chloro-4-(trifluoromethoxy)phenyl]-4-(imidazol-1-ylmethyl)imidazole;hydrochloride (PubChem CID 23445094) has the molecular formula C14H11Cl2F3N4O and a molecular weight of 379.17 g/mol. Its IUPAC name is 1-[3-chloro-4-(trifluoromethoxy)phenyl]-4-(imidazol-1-ylmethyl)imidazole;hydrochloride.

Molecular Properties

Compound Name1-[3-chloro-4-(trifluoromethoxy)phenyl]-4-(imidazol-1-ylmethyl)imidazole;hydrochloride
PubChem CID23445094
Molecular FormulaC14H11Cl2F3N4O
Molecular Weight379.17 g/mol
Exact Mass378.03
IUPAC Name1-[3-chloro-4-(trifluoromethoxy)phenyl]-4-(imidazol-1-ylmethyl)imidazole;hydrochloride
SMILESCl.FC(F)(F)Oc1ccc(-n2cnc(Cn3ccnc3)c2)cc1Cl
InChIInChI=1S/C14H10ClF3N4O.ClH/c15-12-5-11(1-2-13(12)23-14(16,17)18)22-7-10(20-9-22)6-21-4-3-19-8-21;/h1-5,7-9H,6H2;1H
InChIKeyGSFKZZWRFGHAHP-UHFFFAOYSA-N
XLogP4.09
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.17
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[3-chloro-4-(trifluoromethoxy)phenyl]-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

Related Compounds

2-Chloro-4-(2-(2,5-dimethyl-1-(4-(trifluoromethoxy)phenyl)-1H-imidazol-4-yl)ethynyl)pyridine
CID 11646823
3-chloro-N-ethyl-N-(1H-imidazol-5-ylmethyl)-4-(trifluoromethoxy)aniline
CID 24948643
US9981950, Example 110
CID 118870090
3-chloro-N-(1H-imidazol-5-ylmethyl)-N-propan-2-yl-4-(trifluoromethoxy)aniline
CID 24947145
3-chloro-4-(4-chlorophenoxy)-N-ethyl-N-(1H-imidazol-5-ylmethyl)aniline
CID 24947706
3-chloro-N-(1H-imidazol-5-ylmethyl)-4-(trifluoromethoxy)aniline
CID 59728167
US9981950, Example 98
CID 118870067
US9981950, Example 97
CID 118870093
US9981950, Example 93
CID 118870103
US9981950, Example 95
CID 118870141
US9981950, Example 94
CID 118870162
US9981950, Example 99
CID 118870165

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(trifluoromethoxy)phenyl]-4-(imidazol-1-ylmethyl)imidazole;hydrochloride?
The IUPAC name of 1-[3-chloro-4-(trifluoromethoxy)phenyl]-4-(imidazol-1-ylmethyl)imidazole;hydrochloride (CID 23445094) is 1-[3-chloro-4-(trifluoromethoxy)phenyl]-4-(imidazol-1-ylmethyl)imidazole;hydrochloride.
What is the SMILES notation for 1-[3-chloro-4-(trifluoromethoxy)phenyl]-4-(imidazol-1-ylmethyl)imidazole;hydrochloride?
The canonical SMILES for 1-[3-chloro-4-(trifluoromethoxy)phenyl]-4-(imidazol-1-ylmethyl)imidazole;hydrochloride is Cl.FC(F)(F)Oc1ccc(-n2cnc(Cn3ccnc3)c2)cc1Cl.
What is the InChIKey of 1-[3-chloro-4-(trifluoromethoxy)phenyl]-4-(imidazol-1-ylmethyl)imidazole;hydrochloride?
The InChIKey is GSFKZZWRFGHAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3N4O.ClH/c15-12-5-11(1-2-13(12)23-14(16,17)18)22-7-10(20-9-22)6-21-4-3-19-8-21;/h1-5,7-9H,6H2;1H.
What are the key properties of 1-[3-chloro-4-(trifluoromethoxy)phenyl]-4-(imidazol-1-ylmethyl)imidazole;hydrochloride?
1-[3-chloro-4-(trifluoromethoxy)phenyl]-4-(imidazol-1-ylmethyl)imidazole;hydrochloride has a molecular weight of 379.17 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(trifluoromethoxy)phenyl]-4-(imidazol-1-ylmethyl)imidazole;hydrochloride is sourced from PubChem (CID 23445094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).