2-phenyl-1H-benzimidazole;hydrobromide

C13H11BrN2 — CID 160835464

IUPAC2-phenyl-1H-benzimidazole;hydrobromide
SMILESBr.c1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C13H10N2.BrH/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13;/h1-9H,(H,14,15);1H
InChIKeyXVMNFZQGNBERJY-UHFFFAOYSA-N
MW275.15 g/mol
LogP3.81
Rot. Bonds1

About 2-phenyl-1H-benzimidazole;hydrobromide

2-phenyl-1H-benzimidazole;hydrobromide (PubChem CID 160835464) has the molecular formula C13H11BrN2 and a molecular weight of 275.15 g/mol. Its IUPAC name is 2-phenyl-1H-benzimidazole;hydrobromide.

Molecular Properties

Compound Name2-phenyl-1H-benzimidazole;hydrobromide
PubChem CID160835464
Molecular FormulaC13H11BrN2
Molecular Weight275.15 g/mol
Exact Mass274.01
IUPAC Name2-phenyl-1H-benzimidazole;hydrobromide
SMILESBr.c1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C13H10N2.BrH/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13;/h1-9H,(H,14,15);1H
InChIKeyXVMNFZQGNBERJY-UHFFFAOYSA-N
XLogP3.81
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1H-benzimidazole;hydrobromide?
The IUPAC name of 2-phenyl-1H-benzimidazole;hydrobromide (CID 160835464) is 2-phenyl-1H-benzimidazole;hydrobromide.
What is the SMILES notation for 2-phenyl-1H-benzimidazole;hydrobromide?
The canonical SMILES for 2-phenyl-1H-benzimidazole;hydrobromide is Br.c1ccc(-c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 2-phenyl-1H-benzimidazole;hydrobromide?
The InChIKey is XVMNFZQGNBERJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2.BrH/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13;/h1-9H,(H,14,15);1H.
What are the key properties of 2-phenyl-1H-benzimidazole;hydrobromide?
2-phenyl-1H-benzimidazole;hydrobromide has a molecular weight of 275.15 g/mol, XLogP of 3.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1H-benzimidazole;hydrobromide is sourced from PubChem (CID 160835464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).