1-(4-chloro-2-fluorophenyl)-4-[(2-ethylimidazol-1-yl)methyl]imidazole;hydrochloride

C15H15Cl2FN4 — CID 160655070

IUPAC1-(4-chloro-2-fluorophenyl)-4-[(2-ethylimidazol-1-yl)methyl]imidazole;hydrochloride
SMILESCCc1nccn1Cc1cn(-c2ccc(Cl)cc2F)cn1.Cl
InChIInChI=1S/C15H14ClFN4.ClH/c1-2-15-18-5-6-20(15)8-12-9-21(10-19-12)14-4-3-11(16)7-13(14)17;/h3-7,9-10H,2,8H2,1H3;1H
InChIKeyPNSQPNPHBJUYQT-UHFFFAOYSA-N
MW341.22 g/mol
LogP3.89
Rot. Bonds4

About 1-(4-chloro-2-fluorophenyl)-4-[(2-ethylimidazol-1-yl)methyl]imidazole;hydrochloride

1-(4-chloro-2-fluorophenyl)-4-[(2-ethylimidazol-1-yl)methyl]imidazole;hydrochloride (PubChem CID 160655070) has the molecular formula C15H15Cl2FN4 and a molecular weight of 341.22 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-4-[(2-ethylimidazol-1-yl)methyl]imidazole;hydrochloride.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-4-[(2-ethylimidazol-1-yl)methyl]imidazole;hydrochloride
PubChem CID160655070
Molecular FormulaC15H15Cl2FN4
Molecular Weight341.22 g/mol
Exact Mass340.07
IUPAC Name1-(4-chloro-2-fluorophenyl)-4-[(2-ethylimidazol-1-yl)methyl]imidazole;hydrochloride
SMILESCCc1nccn1Cc1cn(-c2ccc(Cl)cc2F)cn1.Cl
InChIInChI=1S/C15H14ClFN4.ClH/c1-2-15-18-5-6-20(15)8-12-9-21(10-19-12)14-4-3-11(16)7-13(14)17;/h3-7,9-10H,2,8H2,1H3;1H
InChIKeyPNSQPNPHBJUYQT-UHFFFAOYSA-N
XLogP3.89
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.22
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-4-[(2-ethylimidazol-1-yl)methyl]imidazole;hydrochloride?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-4-[(2-ethylimidazol-1-yl)methyl]imidazole;hydrochloride (CID 160655070) is 1-(4-chloro-2-fluorophenyl)-4-[(2-ethylimidazol-1-yl)methyl]imidazole;hydrochloride.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-4-[(2-ethylimidazol-1-yl)methyl]imidazole;hydrochloride?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-4-[(2-ethylimidazol-1-yl)methyl]imidazole;hydrochloride is CCc1nccn1Cc1cn(-c2ccc(Cl)cc2F)cn1.Cl.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-4-[(2-ethylimidazol-1-yl)methyl]imidazole;hydrochloride?
The InChIKey is PNSQPNPHBJUYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN4.ClH/c1-2-15-18-5-6-20(15)8-12-9-21(10-19-12)14-4-3-11(16)7-13(14)17;/h3-7,9-10H,2,8H2,1H3;1H.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-4-[(2-ethylimidazol-1-yl)methyl]imidazole;hydrochloride?
1-(4-chloro-2-fluorophenyl)-4-[(2-ethylimidazol-1-yl)methyl]imidazole;hydrochloride has a molecular weight of 341.22 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-4-[(2-ethylimidazol-1-yl)methyl]imidazole;hydrochloride is sourced from PubChem (CID 160655070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).