(5,7-dibromo-4H-imidazo[1,2-a]benzimidazol-6-yl)-(5-fluoro-2-methylphenyl)methanone

C17H10Br2FN3O — CID 177201943

IUPAC(5,7-dibromo-4H-imidazo[1,2-a]benzimidazol-6-yl)-(5-fluoro-2-methylphenyl)methanone
SMILESCc1ccc(F)cc1C(=O)c1c(Br)cc2c([nH]c3nccn32)c1Br
InChIInChI=1S/C17H10Br2FN3O/c1-8-2-3-9(20)6-10(8)16(24)13-11(18)7-12-15(14(13)19)22-17-21-4-5-23(12)17/h2-7H,1H3,(H,21,22)
InChIKeyGZTMBLRMFIKQCQ-UHFFFAOYSA-N
MW451.09 g/mol
LogP5.02
Rot. Bonds2

About (5,7-dibromo-4H-imidazo[1,2-a]benzimidazol-6-yl)-(5-fluoro-2-methylphenyl)methanone

(5,7-dibromo-4H-imidazo[1,2-a]benzimidazol-6-yl)-(5-fluoro-2-methylphenyl)methanone (PubChem CID 177201943) has the molecular formula C17H10Br2FN3O and a molecular weight of 451.09 g/mol. Its IUPAC name is (5,7-dibromo-4H-imidazo[1,2-a]benzimidazol-6-yl)-(5-fluoro-2-methylphenyl)methanone.

Molecular Properties

Compound Name(5,7-dibromo-4H-imidazo[1,2-a]benzimidazol-6-yl)-(5-fluoro-2-methylphenyl)methanone
PubChem CID177201943
Molecular FormulaC17H10Br2FN3O
Molecular Weight451.09 g/mol
Exact Mass448.92
IUPAC Name(5,7-dibromo-4H-imidazo[1,2-a]benzimidazol-6-yl)-(5-fluoro-2-methylphenyl)methanone
SMILESCc1ccc(F)cc1C(=O)c1c(Br)cc2c([nH]c3nccn32)c1Br
InChIInChI=1S/C17H10Br2FN3O/c1-8-2-3-9(20)6-10(8)16(24)13-11(18)7-12-15(14(13)19)22-17-21-4-5-23(12)17/h2-7H,1H3,(H,21,22)
InChIKeyGZTMBLRMFIKQCQ-UHFFFAOYSA-N
XLogP5.02
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.09
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-amino-2,6-dibromo-3-nitrophenyl)-(5-fluoro-2-methylphenyl)methanone
CID 177201953
(5-fluoro-2-methylphenyl)-(1-methylpyrazol-3-yl)methanone
CID 65195470
(2-bromo-4-fluorophenyl)-(2,5-dimethylphenyl)methanone
CID 43337277
(3-amino-5-bromophenyl)-(5-fluoro-2-methylphenyl)methanone
CID 116597045
(4-bromo-1-propylpyrazol-5-yl)-(5-fluoro-2-methylphenyl)methanone
CID 114639719
1-(5-fluoro-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethanone
CID 79744097
(5-fluoro-2-methylphenyl)-(5-methylpyrazin-2-yl)methanone
CID 105095344
(5-fluoro-2-methylphenyl)-isoquinolin-1-ylmethanone
CID 63948626
methyl 3-[3,5-dibromo-4-(5-fluoro-2-methylbenzoyl)-2-nitroanilino]butanoate
CID 177201580
1-(2-bromo-5-fluorophenyl)-2-(1-methylimidazol-2-yl)ethanone
CID 115580335
(2,5-difluorophenyl)-(2,5-dimethylphenyl)methanone
CID 43337442
(2-bromo-4-fluorophenyl)-(3,5-dimethylphenyl)methanone
CID 18997592

Frequently Asked Questions

What is the IUPAC name of (5,7-dibromo-4H-imidazo[1,2-a]benzimidazol-6-yl)-(5-fluoro-2-methylphenyl)methanone?
The IUPAC name of (5,7-dibromo-4H-imidazo[1,2-a]benzimidazol-6-yl)-(5-fluoro-2-methylphenyl)methanone (CID 177201943) is (5,7-dibromo-4H-imidazo[1,2-a]benzimidazol-6-yl)-(5-fluoro-2-methylphenyl)methanone.
What is the SMILES notation for (5,7-dibromo-4H-imidazo[1,2-a]benzimidazol-6-yl)-(5-fluoro-2-methylphenyl)methanone?
The canonical SMILES for (5,7-dibromo-4H-imidazo[1,2-a]benzimidazol-6-yl)-(5-fluoro-2-methylphenyl)methanone is Cc1ccc(F)cc1C(=O)c1c(Br)cc2c([nH]c3nccn32)c1Br.
What is the InChIKey of (5,7-dibromo-4H-imidazo[1,2-a]benzimidazol-6-yl)-(5-fluoro-2-methylphenyl)methanone?
The InChIKey is GZTMBLRMFIKQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Br2FN3O/c1-8-2-3-9(20)6-10(8)16(24)13-11(18)7-12-15(14(13)19)22-17-21-4-5-23(12)17/h2-7H,1H3,(H,21,22).
What are the key properties of (5,7-dibromo-4H-imidazo[1,2-a]benzimidazol-6-yl)-(5-fluoro-2-methylphenyl)methanone?
(5,7-dibromo-4H-imidazo[1,2-a]benzimidazol-6-yl)-(5-fluoro-2-methylphenyl)methanone has a molecular weight of 451.09 g/mol, XLogP of 5.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7-dibromo-4H-imidazo[1,2-a]benzimidazol-6-yl)-(5-fluoro-2-methylphenyl)methanone is sourced from PubChem (CID 177201943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).