N-(4-bromo-2-fluoro-5-methylphenyl)-1H-imidazole-5-carboxamide

C11H9BrFN3O — CID 175572730

IUPACN-(4-bromo-2-fluoro-5-methylphenyl)-1H-imidazole-5-carboxamide
SMILESCc1cc(NC(=O)c2cnc[nH]2)c(F)cc1Br
InChIInChI=1S/C11H9BrFN3O/c1-6-2-9(8(13)3-7(6)12)16-11(17)10-4-14-5-15-10/h2-5H,1H3,(H,14,15)(H,16,17)
InChIKeyNOHXCLXLYYQRQP-UHFFFAOYSA-N
MW298.12 g/mol
LogP2.87
Rot. Bonds2

About N-(4-bromo-2-fluoro-5-methylphenyl)-1H-imidazole-5-carboxamide

N-(4-bromo-2-fluoro-5-methylphenyl)-1H-imidazole-5-carboxamide (PubChem CID 175572730) has the molecular formula C11H9BrFN3O and a molecular weight of 298.12 g/mol. Its IUPAC name is N-(4-bromo-2-fluoro-5-methylphenyl)-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluoro-5-methylphenyl)-1H-imidazole-5-carboxamide
PubChem CID175572730
Molecular FormulaC11H9BrFN3O
Molecular Weight298.12 g/mol
Exact Mass296.99
IUPAC NameN-(4-bromo-2-fluoro-5-methylphenyl)-1H-imidazole-5-carboxamide
SMILESCc1cc(NC(=O)c2cnc[nH]2)c(F)cc1Br
InChIInChI=1S/C11H9BrFN3O/c1-6-2-9(8(13)3-7(6)12)16-11(17)10-4-14-5-15-10/h2-5H,1H3,(H,14,15)(H,16,17)
InChIKeyNOHXCLXLYYQRQP-UHFFFAOYSA-N
XLogP2.87
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.12
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluoro-5-methylphenyl)-1H-imidazole-5-carboxamide?
The IUPAC name of N-(4-bromo-2-fluoro-5-methylphenyl)-1H-imidazole-5-carboxamide (CID 175572730) is N-(4-bromo-2-fluoro-5-methylphenyl)-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-(4-bromo-2-fluoro-5-methylphenyl)-1H-imidazole-5-carboxamide?
The canonical SMILES for N-(4-bromo-2-fluoro-5-methylphenyl)-1H-imidazole-5-carboxamide is Cc1cc(NC(=O)c2cnc[nH]2)c(F)cc1Br.
What is the InChIKey of N-(4-bromo-2-fluoro-5-methylphenyl)-1H-imidazole-5-carboxamide?
The InChIKey is NOHXCLXLYYQRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFN3O/c1-6-2-9(8(13)3-7(6)12)16-11(17)10-4-14-5-15-10/h2-5H,1H3,(H,14,15)(H,16,17).
What are the key properties of N-(4-bromo-2-fluoro-5-methylphenyl)-1H-imidazole-5-carboxamide?
N-(4-bromo-2-fluoro-5-methylphenyl)-1H-imidazole-5-carboxamide has a molecular weight of 298.12 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluoro-5-methylphenyl)-1H-imidazole-5-carboxamide is sourced from PubChem (CID 175572730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).