N-[2-(1H-benzimidazol-2-yl)ethyl]-4-bromobenzamide

C16H14BrN3O — CID 732400

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-4-bromobenzamide
SMILESO=C(NCCc1nc2ccccc2[nH]1)c1ccc(Br)cc1
InChIInChI=1S/C16H14BrN3O/c17-12-7-5-11(6-8-12)16(21)18-10-9-15-19-13-3-1-2-4-14(13)20-15/h1-8H,9-10H2,(H,18,21)(H,19,20)
InChIKeyWHYGAXUMRLXJGG-UHFFFAOYSA-N
MW344.21 g/mol
LogP3.30
Rot. Bonds4

About N-[2-(1H-benzimidazol-2-yl)ethyl]-4-bromobenzamide

N-[2-(1H-benzimidazol-2-yl)ethyl]-4-bromobenzamide (PubChem CID 732400) has the molecular formula C16H14BrN3O and a molecular weight of 344.21 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-4-bromobenzamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-4-bromobenzamide
PubChem CID732400
Molecular FormulaC16H14BrN3O
Molecular Weight344.21 g/mol
Exact Mass343.03
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-4-bromobenzamide
SMILESO=C(NCCc1nc2ccccc2[nH]1)c1ccc(Br)cc1
InChIInChI=1S/C16H14BrN3O/c17-12-7-5-11(6-8-12)16(21)18-10-9-15-19-13-3-1-2-4-14(13)20-15/h1-8H,9-10H2,(H,18,21)(H,19,20)
InChIKeyWHYGAXUMRLXJGG-UHFFFAOYSA-N
XLogP3.30
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-4-bromobenzamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-4-bromobenzamide (CID 732400) is N-[2-(1H-benzimidazol-2-yl)ethyl]-4-bromobenzamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-4-bromobenzamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-4-bromobenzamide is O=C(NCCc1nc2ccccc2[nH]1)c1ccc(Br)cc1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-4-bromobenzamide?
The InChIKey is WHYGAXUMRLXJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O/c17-12-7-5-11(6-8-12)16(21)18-10-9-15-19-13-3-1-2-4-14(13)20-15/h1-8H,9-10H2,(H,18,21)(H,19,20).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-4-bromobenzamide?
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-bromobenzamide has a molecular weight of 344.21 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)ethyl]-4-bromobenzamide is sourced from PubChem (CID 732400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).