N-[(3-bromophenyl)methyl]-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide

C19H15BrN6O2 — CID 53178799

About N-[(3-bromophenyl)methyl]-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide

N-[(3-bromophenyl)methyl]-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide (PubChem CID 53178799) has the molecular formula C19H15BrN6O2 and a molecular weight of 439.27 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[(3-bromophenyl)methyl]-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
• PubChem CID: 53178799
• Molecular Formula: C19H15BrN6O2
• Molecular Weight: 439.27 g/mol
• Exact Mass: 438.04
• IUPAC Name: N-[(3-bromophenyl)methyl]-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
• SMILES: Cc1noc(-c2ccc(-n3cnc(C(=O)NCc4cccc(Br)c4)c3)nc2)n1
• InChI: InChI=1S/C19H15BrN6O2/c1-12-24-19(28-25-12)14-5-6-17(21-9-14)26-10-16(23-11-26)18(27)22-8-13-3-2-4-15(20)7-13/h2-7,9-11H,8H2,1H3,(H,22,27)
• InChIKey: KJZDEJAAWYHRMK-UHFFFAOYSA-N
• XLogP: 3.32
• TPSA: 98.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.27
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide?

The IUPAC name of N-[(3-bromophenyl)methyl]-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide (CID 53178799) is N-[(3-bromophenyl)methyl]-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide.

What is the SMILES notation for N-[(3-bromophenyl)methyl]-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide?

The canonical SMILES for N-[(3-bromophenyl)methyl]-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide is Cc1noc(-c2ccc(-n3cnc(C(=O)NCc4cccc(Br)c4)c3)nc2)n1.

What is the InChIKey of N-[(3-bromophenyl)methyl]-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide?

The InChIKey is KJZDEJAAWYHRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN6O2/c1-12-24-19(28-25-12)14-5-6-17(21-9-14)26-10-16(23-11-26)18(27)22-8-13-3-2-4-15(20)7-13/h2-7,9-11H,8H2,1H3,(H,22,27).

What are the key properties of N-[(3-bromophenyl)methyl]-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide?

N-[(3-bromophenyl)methyl]-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide has a molecular weight of 439.27 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-bromophenyl)methyl]-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide is sourced from PubChem (CID 53178799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).