2-(bromomethyl)-5-iodo-1H-benzimidazol-4-ol

C8H6BrIN2O — CID 130779520

IUPAC2-(bromomethyl)-5-iodo-1H-benzimidazol-4-ol
SMILESOc1c(I)ccc2[nH]c(CBr)nc12
InChIInChI=1S/C8H6BrIN2O/c9-3-6-11-5-2-1-4(10)8(13)7(5)12-6/h1-2,13H,3H2,(H,11,12)
InChIKeyUNYAGAMSDAMKDW-UHFFFAOYSA-N
MW352.96 g/mol
LogP2.77
Rot. Bonds1

About 2-(bromomethyl)-5-iodo-1H-benzimidazol-4-ol

2-(bromomethyl)-5-iodo-1H-benzimidazol-4-ol (PubChem CID 130779520) has the molecular formula C8H6BrIN2O and a molecular weight of 352.96 g/mol. Its IUPAC name is 2-(bromomethyl)-5-iodo-1H-benzimidazol-4-ol.

Molecular Properties

Compound Name2-(bromomethyl)-5-iodo-1H-benzimidazol-4-ol
PubChem CID130779520
Molecular FormulaC8H6BrIN2O
Molecular Weight352.96 g/mol
Exact Mass351.87
IUPAC Name2-(bromomethyl)-5-iodo-1H-benzimidazol-4-ol
SMILESOc1c(I)ccc2[nH]c(CBr)nc12
InChIInChI=1S/C8H6BrIN2O/c9-3-6-11-5-2-1-4(10)8(13)7(5)12-6/h1-2,13H,3H2,(H,11,12)
InChIKeyUNYAGAMSDAMKDW-UHFFFAOYSA-N
XLogP2.77
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.96
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,7-bis(bromomethyl)-5,10-dihydroxy-3,8-dihydropyrimido[4,5-g]quinazoline-4,9-dione
CID 135404972
2-(4-bromo-1H-benzimidazol-2-yl)ethanol
CID 83866918
4-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]phenol
CID 112556656
(7-iodo-3H-imidazo[4,5-c]pyridin-2-yl)methanol
CID 131099118
4,5-diiodo-1H-benzimidazole-2-carboxylic acid
CID 130895280
2-bromo-4-(bromomethyl)-7-iodo-1H-benzimidazole
CID 130924477
5-iodo-1H-indol-4-ol
CID 15979130
2-(bromomethyl)-6-chloro-4-(difluoromethoxy)-1H-benzimidazole
CID 131497083
5-amino-2-methyl-1H-benzimidazol-4-ol
CID 68501476
2-(cyclopropylmethyl)-4,5-difluoro-1H-benzimidazole
CID 112556693
4-hydroxy-3,6-dimethyl-1H-1,5-naphthyridin-2-one
CID 89049721
(4-methyl-1H-imidazo[4,5-c]pyridin-2-yl)methanol
CID 177021910

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-5-iodo-1H-benzimidazol-4-ol?
The IUPAC name of 2-(bromomethyl)-5-iodo-1H-benzimidazol-4-ol (CID 130779520) is 2-(bromomethyl)-5-iodo-1H-benzimidazol-4-ol.
What is the SMILES notation for 2-(bromomethyl)-5-iodo-1H-benzimidazol-4-ol?
The canonical SMILES for 2-(bromomethyl)-5-iodo-1H-benzimidazol-4-ol is Oc1c(I)ccc2[nH]c(CBr)nc12.
What is the InChIKey of 2-(bromomethyl)-5-iodo-1H-benzimidazol-4-ol?
The InChIKey is UNYAGAMSDAMKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrIN2O/c9-3-6-11-5-2-1-4(10)8(13)7(5)12-6/h1-2,13H,3H2,(H,11,12).
What are the key properties of 2-(bromomethyl)-5-iodo-1H-benzimidazol-4-ol?
2-(bromomethyl)-5-iodo-1H-benzimidazol-4-ol has a molecular weight of 352.96 g/mol, XLogP of 2.77, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-5-iodo-1H-benzimidazol-4-ol is sourced from PubChem (CID 130779520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).