5-bromo-N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]furan-2-carboxamide

C19H14BrN5O3 — CID 122313019

IUPAC5-bromo-N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]furan-2-carboxamide
SMILESCc1nc(Oc2ccc(NC(=O)c3ccc(Br)o3)cc2)cc(-n2ccnc2)n1
InChIInChI=1S/C19H14BrN5O3/c1-12-22-17(25-9-8-21-11-25)10-18(23-12)27-14-4-2-13(3-5-14)24-19(26)15-6-7-16(20)28-15/h2-11H,1H3,(H,24,26)
InChIKeyDTDWSBBALYKUFI-UHFFFAOYSA-N
MW440.26 g/mol
LogP4.37
Rot. Bonds5

About 5-bromo-N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]furan-2-carboxamide

5-bromo-N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]furan-2-carboxamide (PubChem CID 122313019) has the molecular formula C19H14BrN5O3 and a molecular weight of 440.26 g/mol. Its IUPAC name is 5-bromo-N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]furan-2-carboxamide
PubChem CID122313019
Molecular FormulaC19H14BrN5O3
Molecular Weight440.26 g/mol
Exact Mass439.03
IUPAC Name5-bromo-N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]furan-2-carboxamide
SMILESCc1nc(Oc2ccc(NC(=O)c3ccc(Br)o3)cc2)cc(-n2ccnc2)n1
InChIInChI=1S/C19H14BrN5O3/c1-12-22-17(25-9-8-21-11-25)10-18(23-12)27-14-4-2-13(3-5-14)24-19(26)15-6-7-16(20)28-15/h2-11H,1H3,(H,24,26)
InChIKeyDTDWSBBALYKUFI-UHFFFAOYSA-N
XLogP4.37
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.26
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-bromo-N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]furan-2-carboxamide
CID 122313018
N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]acetamide
CID 122312969
N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-4-oxochromene-2-carboxamide
CID 122313181
4-tert-butyl-N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122312986
N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-2-iodobenzamide
CID 122313331
N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-4-(trifluoromethoxy)benzamide
CID 122313208
2-ethyl-N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]butanamide
CID 122312976
N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 122313187
5-bromo-N-(4-imidazol-1-ylphenyl)furan-2-carboxamide
CID 31409773
N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]cyclopentanecarboxamide
CID 122312977
5-(furan-2-yl)-N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-1,2-oxazole-3-carboxamide
CID 122313142
N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-4-thiophen-2-ylbenzamide
CID 122313238

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]furan-2-carboxamide (CID 122313019) is 5-bromo-N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]furan-2-carboxamide is Cc1nc(Oc2ccc(NC(=O)c3ccc(Br)o3)cc2)cc(-n2ccnc2)n1.
What is the InChIKey of 5-bromo-N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]furan-2-carboxamide?
The InChIKey is DTDWSBBALYKUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrN5O3/c1-12-22-17(25-9-8-21-11-25)10-18(23-12)27-14-4-2-13(3-5-14)24-19(26)15-6-7-16(20)28-15/h2-11H,1H3,(H,24,26).
What are the key properties of 5-bromo-N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]furan-2-carboxamide?
5-bromo-N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]furan-2-carboxamide has a molecular weight of 440.26 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]furan-2-carboxamide is sourced from PubChem (CID 122313019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).