N-(1H-benzimidazol-2-yl)-2-(4-bromophenyl)acetamide

C15H12BrN3O — CID 2437788

IUPACN-(1H-benzimidazol-2-yl)-2-(4-bromophenyl)acetamide
SMILESO=C(Cc1ccc(Br)cc1)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C15H12BrN3O/c16-11-7-5-10(6-8-11)9-14(20)19-15-17-12-3-1-2-4-13(12)18-15/h1-8H,9H2,(H2,17,18,19,20)
InChIKeyDOUPXWYOQXMCQR-UHFFFAOYSA-N
MW330.19 g/mol
LogP3.51
Rot. Bonds3

About N-(1H-benzimidazol-2-yl)-2-(4-bromophenyl)acetamide

N-(1H-benzimidazol-2-yl)-2-(4-bromophenyl)acetamide (PubChem CID 2437788) has the molecular formula C15H12BrN3O and a molecular weight of 330.19 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-2-(4-bromophenyl)acetamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-2-(4-bromophenyl)acetamide
PubChem CID2437788
Molecular FormulaC15H12BrN3O
Molecular Weight330.19 g/mol
Exact Mass329.02
IUPAC NameN-(1H-benzimidazol-2-yl)-2-(4-bromophenyl)acetamide
SMILESO=C(Cc1ccc(Br)cc1)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C15H12BrN3O/c16-11-7-5-10(6-8-11)9-14(20)19-15-17-12-3-1-2-4-13(12)18-15/h1-8H,9H2,(H2,17,18,19,20)
InChIKeyDOUPXWYOQXMCQR-UHFFFAOYSA-N
XLogP3.51
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.19
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-2-(4-bromophenyl)acetamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-2-(4-bromophenyl)acetamide (CID 2437788) is N-(1H-benzimidazol-2-yl)-2-(4-bromophenyl)acetamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-2-(4-bromophenyl)acetamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-2-(4-bromophenyl)acetamide is O=C(Cc1ccc(Br)cc1)Nc1nc2ccccc2[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-2-(4-bromophenyl)acetamide?
The InChIKey is DOUPXWYOQXMCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O/c16-11-7-5-10(6-8-11)9-14(20)19-15-17-12-3-1-2-4-13(12)18-15/h1-8H,9H2,(H2,17,18,19,20).
What are the key properties of N-(1H-benzimidazol-2-yl)-2-(4-bromophenyl)acetamide?
N-(1H-benzimidazol-2-yl)-2-(4-bromophenyl)acetamide has a molecular weight of 330.19 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-2-(4-bromophenyl)acetamide is sourced from PubChem (CID 2437788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).