2-(5-bromo-2-iodophenyl)-3H-benzimidazol-5-amine

C13H9BrIN3 — CID 114033353

IUPAC2-(5-bromo-2-iodophenyl)-3H-benzimidazol-5-amine
SMILESNc1ccc2nc(-c3cc(Br)ccc3I)[nH]c2c1
InChIInChI=1S/C13H9BrIN3/c14-7-1-3-10(15)9(5-7)13-17-11-4-2-8(16)6-12(11)18-13/h1-6H,16H2,(H,17,18)
InChIKeyCQXXWTDIFRNXDO-UHFFFAOYSA-N
MW414.04 g/mol
LogP4.18
Rot. Bonds1

About 2-(5-bromo-2-iodophenyl)-3H-benzimidazol-5-amine

2-(5-bromo-2-iodophenyl)-3H-benzimidazol-5-amine (PubChem CID 114033353) has the molecular formula C13H9BrIN3 and a molecular weight of 414.04 g/mol. Its IUPAC name is 2-(5-bromo-2-iodophenyl)-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-(5-bromo-2-iodophenyl)-3H-benzimidazol-5-amine
PubChem CID114033353
Molecular FormulaC13H9BrIN3
Molecular Weight414.04 g/mol
Exact Mass412.90
IUPAC Name2-(5-bromo-2-iodophenyl)-3H-benzimidazol-5-amine
SMILESNc1ccc2nc(-c3cc(Br)ccc3I)[nH]c2c1
InChIInChI=1S/C13H9BrIN3/c14-7-1-3-10(15)9(5-7)13-17-11-4-2-8(16)6-12(11)18-13/h1-6H,16H2,(H,17,18)
InChIKeyCQXXWTDIFRNXDO-UHFFFAOYSA-N
XLogP4.18
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.04
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-iodophenyl)-3H-benzimidazol-5-amine
CID 24706504
2-(4-bromo-2-methylphenyl)-3H-benzimidazol-5-amine
CID 43629943
2-(5-bromo-2-methoxyphenyl)-3H-benzimidazol-5-amine
CID 83950843
4-(6-bromo-1H-benzimidazol-2-yl)-3-methoxyaniline
CID 107209077
2-(2,5-dibromothiophen-3-yl)-3H-benzimidazol-5-amine
CID 107962399
6-bromo-2-(2,4-dibromophenyl)-1H-benzimidazole
CID 107939488
2-[4-[4-(6-amino-1H-benzimidazol-2-yl)phenyl]phenyl]-3H-benzimidazol-5-amine
CID 3091495
2-(6-bromo-1H-benzimidazol-2-yl)-4,5-difluoroaniline
CID 62866966
2-(6-bromo-2-pyridinyl)-3H-benzimidazol-5-amine
CID 143074380
2-(2-phenylphenyl)-3H-benzimidazol-5-amine
CID 11150323
4-(6-amino-1H-benzimidazol-2-yl)phenol
CID 763218
2-(5-bromo-2-methylphenyl)-3H-benzimidazol-5-ol
CID 81432484

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-iodophenyl)-3H-benzimidazol-5-amine?
The IUPAC name of 2-(5-bromo-2-iodophenyl)-3H-benzimidazol-5-amine (CID 114033353) is 2-(5-bromo-2-iodophenyl)-3H-benzimidazol-5-amine.
What is the SMILES notation for 2-(5-bromo-2-iodophenyl)-3H-benzimidazol-5-amine?
The canonical SMILES for 2-(5-bromo-2-iodophenyl)-3H-benzimidazol-5-amine is Nc1ccc2nc(-c3cc(Br)ccc3I)[nH]c2c1.
What is the InChIKey of 2-(5-bromo-2-iodophenyl)-3H-benzimidazol-5-amine?
The InChIKey is CQXXWTDIFRNXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrIN3/c14-7-1-3-10(15)9(5-7)13-17-11-4-2-8(16)6-12(11)18-13/h1-6H,16H2,(H,17,18).
What are the key properties of 2-(5-bromo-2-iodophenyl)-3H-benzimidazol-5-amine?
2-(5-bromo-2-iodophenyl)-3H-benzimidazol-5-amine has a molecular weight of 414.04 g/mol, XLogP of 4.18, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-iodophenyl)-3H-benzimidazol-5-amine is sourced from PubChem (CID 114033353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).