2-[5-(4-bromophenyl)furan-2-yl]-1,4-dimethylimidazole;hydrate;hydrochloride

C15H16BrClN2O2 — CID 19869743

IUPAC2-[5-(4-bromophenyl)furan-2-yl]-1,4-dimethylimidazole;hydrate;hydrochloride
SMILESCc1cn(C)c(-c2ccc(-c3ccc(Br)cc3)o2)n1.Cl.O
InChIInChI=1S/C15H13BrN2O.ClH.H2O/c1-10-9-18(2)15(17-10)14-8-7-13(19-14)11-3-5-12(16)6-4-11;;/h3-9H,1-2H3;1H;1H2
InChIKeyDYYJQCMXDATNJE-UHFFFAOYSA-N
MW371.66 g/mol
LogP4.02
Rot. Bonds2

About 2-[5-(4-bromophenyl)furan-2-yl]-1,4-dimethylimidazole;hydrate;hydrochloride

2-[5-(4-bromophenyl)furan-2-yl]-1,4-dimethylimidazole;hydrate;hydrochloride (PubChem CID 19869743) has the molecular formula C15H16BrClN2O2 and a molecular weight of 371.66 g/mol. Its IUPAC name is 2-[5-(4-bromophenyl)furan-2-yl]-1,4-dimethylimidazole;hydrate;hydrochloride.

Molecular Properties

Compound Name2-[5-(4-bromophenyl)furan-2-yl]-1,4-dimethylimidazole;hydrate;hydrochloride
PubChem CID19869743
Molecular FormulaC15H16BrClN2O2
Molecular Weight371.66 g/mol
Exact Mass370.01
IUPAC Name2-[5-(4-bromophenyl)furan-2-yl]-1,4-dimethylimidazole;hydrate;hydrochloride
SMILESCc1cn(C)c(-c2ccc(-c3ccc(Br)cc3)o2)n1.Cl.O
InChIInChI=1S/C15H13BrN2O.ClH.H2O/c1-10-9-18(2)15(17-10)14-8-7-13(19-14)11-3-5-12(16)6-4-11;;/h3-9H,1-2H3;1H;1H2
InChIKeyDYYJQCMXDATNJE-UHFFFAOYSA-N
XLogP4.02
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.66
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-bromophenyl)furan-2-yl]-1,4-dimethylimidazole;hydrate;hydrochloride?
The IUPAC name of 2-[5-(4-bromophenyl)furan-2-yl]-1,4-dimethylimidazole;hydrate;hydrochloride (CID 19869743) is 2-[5-(4-bromophenyl)furan-2-yl]-1,4-dimethylimidazole;hydrate;hydrochloride.
What is the SMILES notation for 2-[5-(4-bromophenyl)furan-2-yl]-1,4-dimethylimidazole;hydrate;hydrochloride?
The canonical SMILES for 2-[5-(4-bromophenyl)furan-2-yl]-1,4-dimethylimidazole;hydrate;hydrochloride is Cc1cn(C)c(-c2ccc(-c3ccc(Br)cc3)o2)n1.Cl.O.
What is the InChIKey of 2-[5-(4-bromophenyl)furan-2-yl]-1,4-dimethylimidazole;hydrate;hydrochloride?
The InChIKey is DYYJQCMXDATNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O.ClH.H2O/c1-10-9-18(2)15(17-10)14-8-7-13(19-14)11-3-5-12(16)6-4-11;;/h3-9H,1-2H3;1H;1H2.
What are the key properties of 2-[5-(4-bromophenyl)furan-2-yl]-1,4-dimethylimidazole;hydrate;hydrochloride?
2-[5-(4-bromophenyl)furan-2-yl]-1,4-dimethylimidazole;hydrate;hydrochloride has a molecular weight of 371.66 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-bromophenyl)furan-2-yl]-1,4-dimethylimidazole;hydrate;hydrochloride is sourced from PubChem (CID 19869743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).