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

C13H10IN3 — CID 24706504

IUPAC2-(2-iodophenyl)-3H-benzimidazol-5-amine
SMILESNc1ccc2nc(-c3ccccc3I)[nH]c2c1
InChIInChI=1S/C13H10IN3/c14-10-4-2-1-3-9(10)13-16-11-6-5-8(15)7-12(11)17-13/h1-7H,15H2,(H,16,17)
InChIKeyCWAOJMPIAKCTTN-UHFFFAOYSA-N
MW335.15 g/mol
LogP3.42
Rot. Bonds1

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

2-(2-iodophenyl)-3H-benzimidazol-5-amine (PubChem CID 24706504) has the molecular formula C13H10IN3 and a molecular weight of 335.15 g/mol. Its IUPAC name is 2-(2-iodophenyl)-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-(2-iodophenyl)-3H-benzimidazol-5-amine
PubChem CID24706504
Molecular FormulaC13H10IN3
Molecular Weight335.15 g/mol
Exact Mass334.99
IUPAC Name2-(2-iodophenyl)-3H-benzimidazol-5-amine
SMILESNc1ccc2nc(-c3ccccc3I)[nH]c2c1
InChIInChI=1S/C13H10IN3/c14-10-4-2-1-3-9(10)13-16-11-6-5-8(15)7-12(11)17-13/h1-7H,15H2,(H,16,17)
InChIKeyCWAOJMPIAKCTTN-UHFFFAOYSA-N
XLogP3.42
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.15
LogP ≤ 53.42
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-phenylphenyl)-3H-benzimidazol-5-amine
CID 11150323
2-(2-iodophenyl)-3H-benzimidazol-5-ol
CID 81431209
2-(5-bromo-2-iodophenyl)-3H-benzimidazol-5-amine
CID 114033353
2-(2,3-difluorophenyl)-3H-benzimidazol-5-amine
CID 55100100
2-(6-amino-1H-benzimidazol-2-yl)benzoate
CID 4247515
2-[4-[4-(6-amino-1H-benzimidazol-2-yl)phenyl]phenyl]-3H-benzimidazol-5-amine
CID 3091495
2-quinolin-5-yl-3H-benzimidazol-5-amine
CID 62874194
2-pyridin-2-yl-3H-benzimidazol-5-amine;trihydrochloride
CID 118989540
5-amino-2-(1H-benzimidazol-2-yl)phenol
CID 135578129
2-(2,5-dibromothiophen-3-yl)-3H-benzimidazol-5-amine
CID 107962399
2-(4-methylthiophen-3-yl)-3H-benzimidazol-5-amine
CID 79802554
2-(6-bromo-2-pyridinyl)-3H-benzimidazol-5-amine
CID 143074380

Frequently Asked Questions

What is the IUPAC name of 2-(2-iodophenyl)-3H-benzimidazol-5-amine?
The IUPAC name of 2-(2-iodophenyl)-3H-benzimidazol-5-amine (CID 24706504) is 2-(2-iodophenyl)-3H-benzimidazol-5-amine.
What is the SMILES notation for 2-(2-iodophenyl)-3H-benzimidazol-5-amine?
The canonical SMILES for 2-(2-iodophenyl)-3H-benzimidazol-5-amine is Nc1ccc2nc(-c3ccccc3I)[nH]c2c1.
What is the InChIKey of 2-(2-iodophenyl)-3H-benzimidazol-5-amine?
The InChIKey is CWAOJMPIAKCTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10IN3/c14-10-4-2-1-3-9(10)13-16-11-6-5-8(15)7-12(11)17-13/h1-7H,15H2,(H,16,17).
What are the key properties of 2-(2-iodophenyl)-3H-benzimidazol-5-amine?
2-(2-iodophenyl)-3H-benzimidazol-5-amine has a molecular weight of 335.15 g/mol, XLogP of 3.42, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-iodophenyl)-3H-benzimidazol-5-amine is sourced from PubChem (CID 24706504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).