1-(3-bromo-4-fluorophenyl)-4-[(2-ethylimidazol-1-yl)methyl]imidazole;hydrochloride

C15H15BrClFN4 — CID 159616253

IUPAC1-(3-bromo-4-fluorophenyl)-4-[(2-ethylimidazol-1-yl)methyl]imidazole;hydrochloride
SMILESCCc1nccn1Cc1cn(-c2ccc(F)c(Br)c2)cn1.Cl
InChIInChI=1S/C15H14BrFN4.ClH/c1-2-15-18-5-6-20(15)8-11-9-21(10-19-11)12-3-4-14(17)13(16)7-12;/h3-7,9-10H,2,8H2,1H3;1H
InChIKeyDPBHUIJSOZDBRO-UHFFFAOYSA-N
MW385.67 g/mol
LogP4.00
Rot. Bonds4

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

1-(3-bromo-4-fluorophenyl)-4-[(2-ethylimidazol-1-yl)methyl]imidazole;hydrochloride (PubChem CID 159616253) has the molecular formula C15H15BrClFN4 and a molecular weight of 385.67 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)-4-[(2-ethylimidazol-1-yl)methyl]imidazole;hydrochloride.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)-4-[(2-ethylimidazol-1-yl)methyl]imidazole;hydrochloride
PubChem CID159616253
Molecular FormulaC15H15BrClFN4
Molecular Weight385.67 g/mol
Exact Mass384.02
IUPAC Name1-(3-bromo-4-fluorophenyl)-4-[(2-ethylimidazol-1-yl)methyl]imidazole;hydrochloride
SMILESCCc1nccn1Cc1cn(-c2ccc(F)c(Br)c2)cn1.Cl
InChIInChI=1S/C15H14BrFN4.ClH/c1-2-15-18-5-6-20(15)8-11-9-21(10-19-11)12-3-4-14(17)13(16)7-12;/h3-7,9-10H,2,8H2,1H3;1H
InChIKeyDPBHUIJSOZDBRO-UHFFFAOYSA-N
XLogP4.00
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.67
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenyl)-4-[(2-ethylimidazol-1-yl)methyl]imidazole;hydrochloride?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)-4-[(2-ethylimidazol-1-yl)methyl]imidazole;hydrochloride (CID 159616253) is 1-(3-bromo-4-fluorophenyl)-4-[(2-ethylimidazol-1-yl)methyl]imidazole;hydrochloride.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)-4-[(2-ethylimidazol-1-yl)methyl]imidazole;hydrochloride?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)-4-[(2-ethylimidazol-1-yl)methyl]imidazole;hydrochloride is CCc1nccn1Cc1cn(-c2ccc(F)c(Br)c2)cn1.Cl.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)-4-[(2-ethylimidazol-1-yl)methyl]imidazole;hydrochloride?
The InChIKey is DPBHUIJSOZDBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN4.ClH/c1-2-15-18-5-6-20(15)8-11-9-21(10-19-11)12-3-4-14(17)13(16)7-12;/h3-7,9-10H,2,8H2,1H3;1H.
What are the key properties of 1-(3-bromo-4-fluorophenyl)-4-[(2-ethylimidazol-1-yl)methyl]imidazole;hydrochloride?
1-(3-bromo-4-fluorophenyl)-4-[(2-ethylimidazol-1-yl)methyl]imidazole;hydrochloride has a molecular weight of 385.67 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-fluorophenyl)-4-[(2-ethylimidazol-1-yl)methyl]imidazole;hydrochloride is sourced from PubChem (CID 159616253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).