4,5-dibromo-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]furan-2-carboxamide

C19H20Br2N4O3 — CID 25105710

IUPAC4,5-dibromo-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]furan-2-carboxamide
SMILESO=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1cc(Br)c(Br)o1
InChIInChI=1S/C19H20Br2N4O3/c20-13-11-16(28-17(13)21)18(26)22-7-10-24-8-5-12(6-9-24)25-15-4-2-1-3-14(15)23-19(25)27/h1-4,11-12H,5-10H2,(H,22,26)(H,23,27)
InChIKeyFQFFYVYBFUVPGG-UHFFFAOYSA-N
MW512.20 g/mol
LogP3.51
Rot. Bonds5

About 4,5-dibromo-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]furan-2-carboxamide

4,5-dibromo-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]furan-2-carboxamide (PubChem CID 25105710) has the molecular formula C19H20Br2N4O3 and a molecular weight of 512.20 g/mol. Its IUPAC name is 4,5-dibromo-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]furan-2-carboxamide
PubChem CID25105710
Molecular FormulaC19H20Br2N4O3
Molecular Weight512.20 g/mol
Exact Mass509.99
IUPAC Name4,5-dibromo-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]furan-2-carboxamide
SMILESO=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1cc(Br)c(Br)o1
InChIInChI=1S/C19H20Br2N4O3/c20-13-11-16(28-17(13)21)18(26)22-7-10-24-8-5-12(6-9-24)25-15-4-2-1-3-14(15)23-19(25)27/h1-4,11-12H,5-10H2,(H,22,26)(H,23,27)
InChIKeyFQFFYVYBFUVPGG-UHFFFAOYSA-N
XLogP3.51
TPSA83.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.20
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4,5-dibromo-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]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

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]furan-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]furan-2-carboxamide (CID 25105710) is 4,5-dibromo-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]furan-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]furan-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]furan-2-carboxamide is O=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1cc(Br)c(Br)o1.
What is the InChIKey of 4,5-dibromo-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]furan-2-carboxamide?
The InChIKey is FQFFYVYBFUVPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Br2N4O3/c20-13-11-16(28-17(13)21)18(26)22-7-10-24-8-5-12(6-9-24)25-15-4-2-1-3-14(15)23-19(25)27/h1-4,11-12H,5-10H2,(H,22,26)(H,23,27).
What are the key properties of 4,5-dibromo-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]furan-2-carboxamide?
4,5-dibromo-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]furan-2-carboxamide has a molecular weight of 512.20 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]furan-2-carboxamide is sourced from PubChem (CID 25105710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).