7-bromo-2-(4-iodophenyl)-3H-benzimidazole-5-carboxamide

C14H9BrIN3O — CID 91686755

IUPAC7-bromo-2-(4-iodophenyl)-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1cc(Br)c2nc(-c3ccc(I)cc3)[nH]c2c1
InChIInChI=1S/C14H9BrIN3O/c15-10-5-8(13(17)20)6-11-12(10)19-14(18-11)7-1-3-9(16)4-2-7/h1-6H,(H2,17,20)(H,18,19)
InChIKeyUGVXVTQFSHCXPP-UHFFFAOYSA-N
MW442.05 g/mol
LogP3.70
Rot. Bonds2

About 7-bromo-2-(4-iodophenyl)-3H-benzimidazole-5-carboxamide

7-bromo-2-(4-iodophenyl)-3H-benzimidazole-5-carboxamide (PubChem CID 91686755) has the molecular formula C14H9BrIN3O and a molecular weight of 442.05 g/mol. Its IUPAC name is 7-bromo-2-(4-iodophenyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name7-bromo-2-(4-iodophenyl)-3H-benzimidazole-5-carboxamide
PubChem CID91686755
Molecular FormulaC14H9BrIN3O
Molecular Weight442.05 g/mol
Exact Mass440.90
IUPAC Name7-bromo-2-(4-iodophenyl)-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1cc(Br)c2nc(-c3ccc(I)cc3)[nH]c2c1
InChIInChI=1S/C14H9BrIN3O/c15-10-5-8(13(17)20)6-11-12(10)19-14(18-11)7-1-3-9(16)4-2-7/h1-6H,(H2,17,20)(H,18,19)
InChIKeyUGVXVTQFSHCXPP-UHFFFAOYSA-N
XLogP3.70
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.05
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(4-iodophenyl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of 7-bromo-2-(4-iodophenyl)-3H-benzimidazole-5-carboxamide (CID 91686755) is 7-bromo-2-(4-iodophenyl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 7-bromo-2-(4-iodophenyl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 7-bromo-2-(4-iodophenyl)-3H-benzimidazole-5-carboxamide is NC(=O)c1cc(Br)c2nc(-c3ccc(I)cc3)[nH]c2c1.
What is the InChIKey of 7-bromo-2-(4-iodophenyl)-3H-benzimidazole-5-carboxamide?
The InChIKey is UGVXVTQFSHCXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrIN3O/c15-10-5-8(13(17)20)6-11-12(10)19-14(18-11)7-1-3-9(16)4-2-7/h1-6H,(H2,17,20)(H,18,19).
What are the key properties of 7-bromo-2-(4-iodophenyl)-3H-benzimidazole-5-carboxamide?
7-bromo-2-(4-iodophenyl)-3H-benzimidazole-5-carboxamide has a molecular weight of 442.05 g/mol, XLogP of 3.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(4-iodophenyl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 91686755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).