N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-5-bromofuran-2-carboxamide

C18H11BrClN3O2 — CID 3445477

IUPACN-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-5-bromofuran-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1)c1ccc(Br)o1
InChIInChI=1S/C18H11BrClN3O2/c19-16-8-7-15(25-16)18(24)21-10-5-6-12(20)11(9-10)17-22-13-3-1-2-4-14(13)23-17/h1-9H,(H,21,24)(H,22,23)
InChIKeyAMYLLOJWQBBTOY-UHFFFAOYSA-N
MW416.66 g/mol
LogP5.49
Rot. Bonds3

About N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-5-bromofuran-2-carboxamide

N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-5-bromofuran-2-carboxamide (PubChem CID 3445477) has the molecular formula C18H11BrClN3O2 and a molecular weight of 416.66 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-5-bromofuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-5-bromofuran-2-carboxamide
PubChem CID3445477
Molecular FormulaC18H11BrClN3O2
Molecular Weight416.66 g/mol
Exact Mass414.97
IUPAC NameN-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-5-bromofuran-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1)c1ccc(Br)o1
InChIInChI=1S/C18H11BrClN3O2/c19-16-8-7-15(25-16)18(24)21-10-5-6-12(20)11(9-10)17-22-13-3-1-2-4-14(13)23-17/h1-9H,(H,21,24)(H,22,23)
InChIKeyAMYLLOJWQBBTOY-UHFFFAOYSA-N
XLogP5.49
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.66
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-5-bromofuran-2-carboxamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-5-bromofuran-2-carboxamide (CID 3445477) is N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-5-bromofuran-2-carboxamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-5-bromofuran-2-carboxamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-5-bromofuran-2-carboxamide is O=C(Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1)c1ccc(Br)o1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-5-bromofuran-2-carboxamide?
The InChIKey is AMYLLOJWQBBTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11BrClN3O2/c19-16-8-7-15(25-16)18(24)21-10-5-6-12(20)11(9-10)17-22-13-3-1-2-4-14(13)23-17/h1-9H,(H,21,24)(H,22,23).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-5-bromofuran-2-carboxamide?
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-5-bromofuran-2-carboxamide has a molecular weight of 416.66 g/mol, XLogP of 5.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-5-bromofuran-2-carboxamide is sourced from PubChem (CID 3445477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).