7-iodo-2,4-dimethyl-1H-benzimidazole

C9H9IN2 — CID 133055753

IUPAC7-iodo-2,4-dimethyl-1H-benzimidazole
SMILESCc1nc2c(C)ccc(I)c2[nH]1
InChIInChI=1S/C9H9IN2/c1-5-3-4-7(10)9-8(5)11-6(2)12-9/h3-4H,1-2H3,(H,11,12)
InChIKeyJDDXSOFMMJGKSD-UHFFFAOYSA-N
MW272.09 g/mol
LogP2.78
Rot. Bonds

About 7-iodo-2,4-dimethyl-1H-benzimidazole

7-iodo-2,4-dimethyl-1H-benzimidazole (PubChem CID 133055753) has the molecular formula C9H9IN2 and a molecular weight of 272.09 g/mol. Its IUPAC name is 7-iodo-2,4-dimethyl-1H-benzimidazole.

Molecular Properties

Compound Name7-iodo-2,4-dimethyl-1H-benzimidazole
PubChem CID133055753
Molecular FormulaC9H9IN2
Molecular Weight272.09 g/mol
Exact Mass271.98
IUPAC Name7-iodo-2,4-dimethyl-1H-benzimidazole
SMILESCc1nc2c(C)ccc(I)c2[nH]1
InChIInChI=1S/C9H9IN2/c1-5-3-4-7(10)9-8(5)11-6(2)12-9/h3-4H,1-2H3,(H,11,12)
InChIKeyJDDXSOFMMJGKSD-UHFFFAOYSA-N
XLogP2.78
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.09
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethyl-7-propan-2-yl-1H-benzimidazole
CID 70642266
2-fluoro-4,7-diiodo-1H-benzimidazole
CID 131194930
ethane;8-iodo-2,7-dimethyl-3H-quinazolin-4-one
CID 136653935
ethane;2,4,5-trimethyl-1H-benzimidazole
CID 142026179
2,5-dimethyl-4-propan-2-yl-1H-benzimidazole
CID 164840033
7-iodo-4-methyl-1,3-benzothiazol-2-amine
CID 130498154
2-bromo-7-fluoro-4-methyl-1H-benzimidazole
CID 130051800
6-methoxy-2,4-dimethyl-7-propan-2-yl-1H-benzimidazole
CID 169298302
2-bromo-4-(bromomethyl)-7-iodo-1H-benzimidazole
CID 130924477
8-bromo-2,7-dimethyl-3H-quinazolin-4-one
CID 135894574
1-iodo-4,5,8-trimethylnaphthalene
CID 134559851
4-butyl-2,5-dimethyl-1H-benzimidazole
CID 174213489

Frequently Asked Questions

What is the IUPAC name of 7-iodo-2,4-dimethyl-1H-benzimidazole?
The IUPAC name of 7-iodo-2,4-dimethyl-1H-benzimidazole (CID 133055753) is 7-iodo-2,4-dimethyl-1H-benzimidazole.
What is the SMILES notation for 7-iodo-2,4-dimethyl-1H-benzimidazole?
The canonical SMILES for 7-iodo-2,4-dimethyl-1H-benzimidazole is Cc1nc2c(C)ccc(I)c2[nH]1.
What is the InChIKey of 7-iodo-2,4-dimethyl-1H-benzimidazole?
The InChIKey is JDDXSOFMMJGKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9IN2/c1-5-3-4-7(10)9-8(5)11-6(2)12-9/h3-4H,1-2H3,(H,11,12).
What are the key properties of 7-iodo-2,4-dimethyl-1H-benzimidazole?
7-iodo-2,4-dimethyl-1H-benzimidazole has a molecular weight of 272.09 g/mol, XLogP of 2.78, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iodo-2,4-dimethyl-1H-benzimidazole is sourced from PubChem (CID 133055753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).