N-(1H-benzimidazol-2-yl)-5-bromo-3-methyl-1-benzofuran-2-carboxamide

C17H12BrN3O2 — CID 2125622

IUPACN-(1H-benzimidazol-2-yl)-5-bromo-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2nc3ccccc3[nH]2)oc2ccc(Br)cc12
InChIInChI=1S/C17H12BrN3O2/c1-9-11-8-10(18)6-7-14(11)23-15(9)16(22)21-17-19-12-4-2-3-5-13(12)20-17/h2-8H,1H3,(H2,19,20,21,22)
InChIKeyJGATXWKFIUDAAU-UHFFFAOYSA-N
MW370.21 g/mol
LogP4.63
Rot. Bonds2

About N-(1H-benzimidazol-2-yl)-5-bromo-3-methyl-1-benzofuran-2-carboxamide

N-(1H-benzimidazol-2-yl)-5-bromo-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 2125622) has the molecular formula C17H12BrN3O2 and a molecular weight of 370.21 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-5-bromo-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-5-bromo-3-methyl-1-benzofuran-2-carboxamide
PubChem CID2125622
Molecular FormulaC17H12BrN3O2
Molecular Weight370.21 g/mol
Exact Mass369.01
IUPAC NameN-(1H-benzimidazol-2-yl)-5-bromo-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2nc3ccccc3[nH]2)oc2ccc(Br)cc12
InChIInChI=1S/C17H12BrN3O2/c1-9-11-8-10(18)6-7-14(11)23-15(9)16(22)21-17-19-12-4-2-3-5-13(12)20-17/h2-8H,1H3,(H2,19,20,21,22)
InChIKeyJGATXWKFIUDAAU-UHFFFAOYSA-N
XLogP4.63
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.21
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1H-benzimidazol-2-yl)-5-bromo-3-methyl-1-benzofuran-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 N-(1H-benzimidazol-2-yl)-5-bromo-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-5-bromo-3-methyl-1-benzofuran-2-carboxamide (CID 2125622) is N-(1H-benzimidazol-2-yl)-5-bromo-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-5-bromo-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-5-bromo-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2nc3ccccc3[nH]2)oc2ccc(Br)cc12.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-5-bromo-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is JGATXWKFIUDAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrN3O2/c1-9-11-8-10(18)6-7-14(11)23-15(9)16(22)21-17-19-12-4-2-3-5-13(12)20-17/h2-8H,1H3,(H2,19,20,21,22).
What are the key properties of N-(1H-benzimidazol-2-yl)-5-bromo-3-methyl-1-benzofuran-2-carboxamide?
N-(1H-benzimidazol-2-yl)-5-bromo-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 370.21 g/mol, XLogP of 4.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-5-bromo-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 2125622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).