(7-iodo-3H-benzimidazol-5-yl)methanol

C8H7IN2O — CID 130781732

IUPAC(7-iodo-3H-benzimidazol-5-yl)methanol
SMILESOCc1cc(I)c2nc[nH]c2c1
InChIInChI=1S/C8H7IN2O/c9-6-1-5(3-12)2-7-8(6)11-4-10-7/h1-2,4,12H,3H2,(H,10,11)
InChIKeyKFNPXYQXBFAWMI-UHFFFAOYSA-N
MW274.06 g/mol
LogP1.66
Rot. Bonds1

About (7-iodo-3H-benzimidazol-5-yl)methanol

(7-iodo-3H-benzimidazol-5-yl)methanol (PubChem CID 130781732) has the molecular formula C8H7IN2O and a molecular weight of 274.06 g/mol. Its IUPAC name is (7-iodo-3H-benzimidazol-5-yl)methanol.

Molecular Properties

Compound Name(7-iodo-3H-benzimidazol-5-yl)methanol
PubChem CID130781732
Molecular FormulaC8H7IN2O
Molecular Weight274.06 g/mol
Exact Mass273.96
IUPAC Name(7-iodo-3H-benzimidazol-5-yl)methanol
SMILESOCc1cc(I)c2nc[nH]c2c1
InChIInChI=1S/C8H7IN2O/c9-6-1-5(3-12)2-7-8(6)11-4-10-7/h1-2,4,12H,3H2,(H,10,11)
InChIKeyKFNPXYQXBFAWMI-UHFFFAOYSA-N
XLogP1.66
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.06
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[7-(difluoromethyl)-3H-benzimidazol-5-yl]methanol
CID 130777663
6-(chloromethyl)-1H-benzimidazole-4-carbonyl chloride
CID 130772160
4-chloro-6-(2-methylpropyl)-1H-benzimidazole
CID 154656324
3-(7-chloro-3H-benzimidazol-5-yl)propan-1-amine
CID 83884805
6-iodo-1H-benzimidazole-4-carboxylic acid
CID 131078743
ethyl 6-(chloromethyl)-1H-benzimidazole-4-carboxylate
CID 131449396
7,9-diazatricyclo[4.3.0.02,4]nona-1,3,5,8-tetraene
CID 57358712
1-(7-bromo-3H-benzimidazol-5-yl)-N-methylmethanamine
CID 83898803
methyl 2-(7-bromo-3H-benzimidazol-5-yl)acetate
CID 131298320
3-(7-chloro-3H-benzimidazol-5-yl)-2-methylpropan-1-amine
CID 83891497
(5-sulfanyl-1H-benzimidazol-4-yl)methanol
CID 130981798
6-iodo-4-(trifluoromethyl)-1H-benzimidazole
CID 130981899

Frequently Asked Questions

What is the IUPAC name of (7-iodo-3H-benzimidazol-5-yl)methanol?
The IUPAC name of (7-iodo-3H-benzimidazol-5-yl)methanol (CID 130781732) is (7-iodo-3H-benzimidazol-5-yl)methanol.
What is the SMILES notation for (7-iodo-3H-benzimidazol-5-yl)methanol?
The canonical SMILES for (7-iodo-3H-benzimidazol-5-yl)methanol is OCc1cc(I)c2nc[nH]c2c1.
What is the InChIKey of (7-iodo-3H-benzimidazol-5-yl)methanol?
The InChIKey is KFNPXYQXBFAWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7IN2O/c9-6-1-5(3-12)2-7-8(6)11-4-10-7/h1-2,4,12H,3H2,(H,10,11).
What are the key properties of (7-iodo-3H-benzimidazol-5-yl)methanol?
(7-iodo-3H-benzimidazol-5-yl)methanol has a molecular weight of 274.06 g/mol, XLogP of 1.66, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-iodo-3H-benzimidazol-5-yl)methanol is sourced from PubChem (CID 130781732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).