1-(3,5-dibromophenyl)-N-methylimidazole-4-carboxamide

C11H9Br2N3O — CID 142342366

IUPAC1-(3,5-dibromophenyl)-N-methylimidazole-4-carboxamide
SMILESCNC(=O)c1cn(-c2cc(Br)cc(Br)c2)cn1
InChIInChI=1S/C11H9Br2N3O/c1-14-11(17)10-5-16(6-15-10)9-3-7(12)2-8(13)4-9/h2-6H,1H3,(H,14,17)
InChIKeyKOPHMUAZOPKFAJ-UHFFFAOYSA-N
MW359.02 g/mol
LogP2.76
Rot. Bonds2

About 1-(3,5-dibromophenyl)-N-methylimidazole-4-carboxamide

1-(3,5-dibromophenyl)-N-methylimidazole-4-carboxamide (PubChem CID 142342366) has the molecular formula C11H9Br2N3O and a molecular weight of 359.02 g/mol. Its IUPAC name is 1-(3,5-dibromophenyl)-N-methylimidazole-4-carboxamide.

Molecular Properties

Compound Name1-(3,5-dibromophenyl)-N-methylimidazole-4-carboxamide
PubChem CID142342366
Molecular FormulaC11H9Br2N3O
Molecular Weight359.02 g/mol
Exact Mass356.91
IUPAC Name1-(3,5-dibromophenyl)-N-methylimidazole-4-carboxamide
SMILESCNC(=O)c1cn(-c2cc(Br)cc(Br)c2)cn1
InChIInChI=1S/C11H9Br2N3O/c1-14-11(17)10-5-16(6-15-10)9-3-7(12)2-8(13)4-9/h2-6H,1H3,(H,14,17)
InChIKeyKOPHMUAZOPKFAJ-UHFFFAOYSA-N
XLogP2.76
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.02
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dibromophenyl)-N-methylimidazole-4-carboxamide?
The IUPAC name of 1-(3,5-dibromophenyl)-N-methylimidazole-4-carboxamide (CID 142342366) is 1-(3,5-dibromophenyl)-N-methylimidazole-4-carboxamide.
What is the SMILES notation for 1-(3,5-dibromophenyl)-N-methylimidazole-4-carboxamide?
The canonical SMILES for 1-(3,5-dibromophenyl)-N-methylimidazole-4-carboxamide is CNC(=O)c1cn(-c2cc(Br)cc(Br)c2)cn1.
What is the InChIKey of 1-(3,5-dibromophenyl)-N-methylimidazole-4-carboxamide?
The InChIKey is KOPHMUAZOPKFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Br2N3O/c1-14-11(17)10-5-16(6-15-10)9-3-7(12)2-8(13)4-9/h2-6H,1H3,(H,14,17).
What are the key properties of 1-(3,5-dibromophenyl)-N-methylimidazole-4-carboxamide?
1-(3,5-dibromophenyl)-N-methylimidazole-4-carboxamide has a molecular weight of 359.02 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dibromophenyl)-N-methylimidazole-4-carboxamide is sourced from PubChem (CID 142342366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).