2-bromo-1-(3,5-difluoro-2-nitrosophenyl)-4-methylimidazole

C10H6BrF2N3O — CID 88984234

IUPAC2-bromo-1-(3,5-difluoro-2-nitrosophenyl)-4-methylimidazole
SMILESCc1cn(-c2cc(F)cc(F)c2N=O)c(Br)n1
InChIInChI=1S/C10H6BrF2N3O/c1-5-4-16(10(11)14-5)8-3-6(12)2-7(13)9(8)15-17/h2-4H,1H3
InChIKeyPGHWYPIXRCNLND-UHFFFAOYSA-N
MW302.08 g/mol
LogP3.62
Rot. Bonds2

About 2-bromo-1-(3,5-difluoro-2-nitrosophenyl)-4-methylimidazole

2-bromo-1-(3,5-difluoro-2-nitrosophenyl)-4-methylimidazole (PubChem CID 88984234) has the molecular formula C10H6BrF2N3O and a molecular weight of 302.08 g/mol. Its IUPAC name is 2-bromo-1-(3,5-difluoro-2-nitrosophenyl)-4-methylimidazole.

Molecular Properties

Compound Name2-bromo-1-(3,5-difluoro-2-nitrosophenyl)-4-methylimidazole
PubChem CID88984234
Molecular FormulaC10H6BrF2N3O
Molecular Weight302.08 g/mol
Exact Mass300.97
IUPAC Name2-bromo-1-(3,5-difluoro-2-nitrosophenyl)-4-methylimidazole
SMILESCc1cn(-c2cc(F)cc(F)c2N=O)c(Br)n1
InChIInChI=1S/C10H6BrF2N3O/c1-5-4-16(10(11)14-5)8-3-6(12)2-7(13)9(8)15-17/h2-4H,1H3
InChIKeyPGHWYPIXRCNLND-UHFFFAOYSA-N
XLogP3.62
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.08
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(3,5-difluoro-2-nitrosophenyl)-4-methylimidazole?
The IUPAC name of 2-bromo-1-(3,5-difluoro-2-nitrosophenyl)-4-methylimidazole (CID 88984234) is 2-bromo-1-(3,5-difluoro-2-nitrosophenyl)-4-methylimidazole.
What is the SMILES notation for 2-bromo-1-(3,5-difluoro-2-nitrosophenyl)-4-methylimidazole?
The canonical SMILES for 2-bromo-1-(3,5-difluoro-2-nitrosophenyl)-4-methylimidazole is Cc1cn(-c2cc(F)cc(F)c2N=O)c(Br)n1.
What is the InChIKey of 2-bromo-1-(3,5-difluoro-2-nitrosophenyl)-4-methylimidazole?
The InChIKey is PGHWYPIXRCNLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrF2N3O/c1-5-4-16(10(11)14-5)8-3-6(12)2-7(13)9(8)15-17/h2-4H,1H3.
What are the key properties of 2-bromo-1-(3,5-difluoro-2-nitrosophenyl)-4-methylimidazole?
2-bromo-1-(3,5-difluoro-2-nitrosophenyl)-4-methylimidazole has a molecular weight of 302.08 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(3,5-difluoro-2-nitrosophenyl)-4-methylimidazole is sourced from PubChem (CID 88984234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).