2-(3-bromophenyl)-1H-benzimidazole;ethane

C15H15BrN2 — CID 143816010

IUPAC2-(3-bromophenyl)-1H-benzimidazole;ethane
SMILESBrc1cccc(-c2nc3ccccc3[nH]2)c1.CC
InChIInChI=1S/C13H9BrN2.C2H6/c14-10-5-3-4-9(8-10)13-15-11-6-1-2-7-12(11)16-13;1-2/h1-8H,(H,15,16);1-2H3
InChIKeyUGKIXXVDTKEUBY-UHFFFAOYSA-N
MW303.20 g/mol
LogP5.02
Rot. Bonds1

About 2-(3-bromophenyl)-1H-benzimidazole;ethane

2-(3-bromophenyl)-1H-benzimidazole;ethane (PubChem CID 143816010) has the molecular formula C15H15BrN2 and a molecular weight of 303.20 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1H-benzimidazole;ethane.

Molecular Properties

Compound Name2-(3-bromophenyl)-1H-benzimidazole;ethane
PubChem CID143816010
Molecular FormulaC15H15BrN2
Molecular Weight303.20 g/mol
Exact Mass302.04
IUPAC Name2-(3-bromophenyl)-1H-benzimidazole;ethane
SMILESBrc1cccc(-c2nc3ccccc3[nH]2)c1.CC
InChIInChI=1S/C13H9BrN2.C2H6/c14-10-5-3-4-9(8-10)13-15-11-6-1-2-7-12(11)16-13;1-2/h1-8H,(H,15,16);1-2H3
InChIKeyUGKIXXVDTKEUBY-UHFFFAOYSA-N
XLogP5.02
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.20
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2-(3-bromophenyl)-5,6-dichloro-1H-benzimidazole
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3-(3-bromophenyl)-1H-quinoxalin-2-one
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2-phenyl-1H-benzimidazole;hydrobromide
CID 160835464
azane;2-phenyl-1H-benzimidazole
CID 172858780
2-phenyl-1H-benzimidazole;zinc
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[2-(3-bromophenyl)-3H-benzimidazol-5-yl]methanol
CID 84756442
2-phenyl-1H-benzimidazole;zirconium(4+);tetrachloride
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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1H-benzimidazole;ethane?
The IUPAC name of 2-(3-bromophenyl)-1H-benzimidazole;ethane (CID 143816010) is 2-(3-bromophenyl)-1H-benzimidazole;ethane.
What is the SMILES notation for 2-(3-bromophenyl)-1H-benzimidazole;ethane?
The canonical SMILES for 2-(3-bromophenyl)-1H-benzimidazole;ethane is Brc1cccc(-c2nc3ccccc3[nH]2)c1.CC.
What is the InChIKey of 2-(3-bromophenyl)-1H-benzimidazole;ethane?
The InChIKey is UGKIXXVDTKEUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN2.C2H6/c14-10-5-3-4-9(8-10)13-15-11-6-1-2-7-12(11)16-13;1-2/h1-8H,(H,15,16);1-2H3.
What are the key properties of 2-(3-bromophenyl)-1H-benzimidazole;ethane?
2-(3-bromophenyl)-1H-benzimidazole;ethane has a molecular weight of 303.20 g/mol, XLogP of 5.02, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-1H-benzimidazole;ethane is sourced from PubChem (CID 143816010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).