2-(2,5-dibromothiophen-3-yl)-3H-benzimidazol-5-amine

C11H7Br2N3S — CID 107962399

IUPAC2-(2,5-dibromothiophen-3-yl)-3H-benzimidazol-5-amine
SMILESNc1ccc2nc(-c3cc(Br)sc3Br)[nH]c2c1
InChIInChI=1S/C11H7Br2N3S/c12-9-4-6(10(13)17-9)11-15-7-2-1-5(14)3-8(7)16-11/h1-4H,14H2,(H,15,16)
InChIKeyIJVBGPLHOKVVHD-UHFFFAOYSA-N
MW373.07 g/mol
LogP4.40
Rot. Bonds1

About 2-(2,5-dibromothiophen-3-yl)-3H-benzimidazol-5-amine

2-(2,5-dibromothiophen-3-yl)-3H-benzimidazol-5-amine (PubChem CID 107962399) has the molecular formula C11H7Br2N3S and a molecular weight of 373.07 g/mol. Its IUPAC name is 2-(2,5-dibromothiophen-3-yl)-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-(2,5-dibromothiophen-3-yl)-3H-benzimidazol-5-amine
PubChem CID107962399
Molecular FormulaC11H7Br2N3S
Molecular Weight373.07 g/mol
Exact Mass370.87
IUPAC Name2-(2,5-dibromothiophen-3-yl)-3H-benzimidazol-5-amine
SMILESNc1ccc2nc(-c3cc(Br)sc3Br)[nH]c2c1
InChIInChI=1S/C11H7Br2N3S/c12-9-4-6(10(13)17-9)11-15-7-2-1-5(14)3-8(7)16-11/h1-4H,14H2,(H,15,16)
InChIKeyIJVBGPLHOKVVHD-UHFFFAOYSA-N
XLogP4.40
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.07
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-bromo-2-(2,5-dibromothiophen-3-yl)-1H-benzimidazole
CID 107963330
2-(4-bromo-2-methylphenyl)-3H-benzimidazol-5-amine
CID 43629943
2-(5-bromo-2-iodophenyl)-3H-benzimidazol-5-amine
CID 114033353
2-[4-[4-(6-amino-1H-benzimidazol-2-yl)phenyl]phenyl]-3H-benzimidazol-5-amine
CID 3091495
2-(4-methylthiophen-3-yl)-3H-benzimidazol-5-amine
CID 79802554
2-(6-bromo-2-pyridinyl)-3H-benzimidazol-5-amine
CID 143074380
2-(2-phenylphenyl)-3H-benzimidazol-5-amine
CID 11150323
2-(2-iodophenyl)-3H-benzimidazol-5-amine
CID 24706504
2-(5-bromo-2-methoxyphenyl)-3H-benzimidazol-5-amine
CID 83950843
2-(2,3-difluorophenyl)-3H-benzimidazol-5-amine
CID 55100100
2-thiophen-3-yl-3H-benzimidazol-5-amine
CID 24692071
4-(6-bromo-1H-benzimidazol-2-yl)-3-methoxyaniline
CID 107209077

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dibromothiophen-3-yl)-3H-benzimidazol-5-amine?
The IUPAC name of 2-(2,5-dibromothiophen-3-yl)-3H-benzimidazol-5-amine (CID 107962399) is 2-(2,5-dibromothiophen-3-yl)-3H-benzimidazol-5-amine.
What is the SMILES notation for 2-(2,5-dibromothiophen-3-yl)-3H-benzimidazol-5-amine?
The canonical SMILES for 2-(2,5-dibromothiophen-3-yl)-3H-benzimidazol-5-amine is Nc1ccc2nc(-c3cc(Br)sc3Br)[nH]c2c1.
What is the InChIKey of 2-(2,5-dibromothiophen-3-yl)-3H-benzimidazol-5-amine?
The InChIKey is IJVBGPLHOKVVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Br2N3S/c12-9-4-6(10(13)17-9)11-15-7-2-1-5(14)3-8(7)16-11/h1-4H,14H2,(H,15,16).
What are the key properties of 2-(2,5-dibromothiophen-3-yl)-3H-benzimidazol-5-amine?
2-(2,5-dibromothiophen-3-yl)-3H-benzimidazol-5-amine has a molecular weight of 373.07 g/mol, XLogP of 4.40, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dibromothiophen-3-yl)-3H-benzimidazol-5-amine is sourced from PubChem (CID 107962399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).