N-[2-(5-bromofuran-2-yl)-3H-benzimidazol-5-yl]thiophene-2-carboxamide

C16H10BrN3O2S — CID 664956

IUPACN-[2-(5-bromofuran-2-yl)-3H-benzimidazol-5-yl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc2nc(-c3ccc(Br)o3)[nH]c2c1)c1cccs1
InChIInChI=1S/C16H10BrN3O2S/c17-14-6-5-12(22-14)15-19-10-4-3-9(8-11(10)20-15)18-16(21)13-2-1-7-23-13/h1-8H,(H,18,21)(H,19,20)
InChIKeyHXIGHGWYYQERKO-UHFFFAOYSA-N
MW388.25 g/mol
LogP4.90
Rot. Bonds3

About N-[2-(5-bromofuran-2-yl)-3H-benzimidazol-5-yl]thiophene-2-carboxamide

N-[2-(5-bromofuran-2-yl)-3H-benzimidazol-5-yl]thiophene-2-carboxamide (PubChem CID 664956) has the molecular formula C16H10BrN3O2S and a molecular weight of 388.25 g/mol. Its IUPAC name is N-[2-(5-bromofuran-2-yl)-3H-benzimidazol-5-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(5-bromofuran-2-yl)-3H-benzimidazol-5-yl]thiophene-2-carboxamide
PubChem CID664956
Molecular FormulaC16H10BrN3O2S
Molecular Weight388.25 g/mol
Exact Mass386.97
IUPAC NameN-[2-(5-bromofuran-2-yl)-3H-benzimidazol-5-yl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc2nc(-c3ccc(Br)o3)[nH]c2c1)c1cccs1
InChIInChI=1S/C16H10BrN3O2S/c17-14-6-5-12(22-14)15-19-10-4-3-9(8-11(10)20-15)18-16(21)13-2-1-7-23-13/h1-8H,(H,18,21)(H,19,20)
InChIKeyHXIGHGWYYQERKO-UHFFFAOYSA-N
XLogP4.90
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.25
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-furyl)-1H-benzimidazol-5-yl]-2-thiophenecarboxamide
CID 828644
N-[2-(2-thienyl)-1H-benzimidazol-5-yl]-2-furamide
CID 828646
N-[2-(5-bromofuran-2-yl)-3H-benzimidazol-5-yl]furan-2-carboxamide
CID 665084
N-[2-(5-Methyl-furan-2-yl)-1H-benzoimidazol-5-yl]-benzenesulfonamide
CID 1088933
N-[2-(5-bromo-2-furyl)-1H-benzimidazol-5-yl]acetamide
CID 886876
N-[2-(furan-2-yl)-1H-benzimidazol-5-yl]acetamide
CID 892850
N-[2-(furan-2-yl)-1H-benzimidazol-5-yl]furan-2-carboxamide
CID 645884
4-Amino-1-(3-thienylmethyl)-2-[2-(5-phosphono)furanyl]benzimidazole
CID 44626939
N-[2-(5-bromofuran-2-yl)-1H-benzimidazol-5-yl]benzenesulfonamide
CID 665063
2-(5-Bromo-2-furyl)-1h-benzimidazole
CID 874005
3-(2-methyl-3H-benzimidazol-5-yl)-2-(5-methylfuran-2-yl)-1,3-thiazolidin-4-one
CID 44424548
N-[2-(5-methylfuran-2-yl)-3H-benzimidazol-5-yl]thiophene-2-carboxamide
CID 828654

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromofuran-2-yl)-3H-benzimidazol-5-yl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(5-bromofuran-2-yl)-3H-benzimidazol-5-yl]thiophene-2-carboxamide (CID 664956) is N-[2-(5-bromofuran-2-yl)-3H-benzimidazol-5-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(5-bromofuran-2-yl)-3H-benzimidazol-5-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(5-bromofuran-2-yl)-3H-benzimidazol-5-yl]thiophene-2-carboxamide is O=C(Nc1ccc2nc(-c3ccc(Br)o3)[nH]c2c1)c1cccs1.
What is the InChIKey of N-[2-(5-bromofuran-2-yl)-3H-benzimidazol-5-yl]thiophene-2-carboxamide?
The InChIKey is HXIGHGWYYQERKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrN3O2S/c17-14-6-5-12(22-14)15-19-10-4-3-9(8-11(10)20-15)18-16(21)13-2-1-7-23-13/h1-8H,(H,18,21)(H,19,20).
What are the key properties of N-[2-(5-bromofuran-2-yl)-3H-benzimidazol-5-yl]thiophene-2-carboxamide?
N-[2-(5-bromofuran-2-yl)-3H-benzimidazol-5-yl]thiophene-2-carboxamide has a molecular weight of 388.25 g/mol, XLogP of 4.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromofuran-2-yl)-3H-benzimidazol-5-yl]thiophene-2-carboxamide is sourced from PubChem (CID 664956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).