4-(chloromethyl)-7-iodo-1H-benzimidazole

C8H6ClIN2 — CID 130934090

IUPAC4-(chloromethyl)-7-iodo-1H-benzimidazole
SMILESClCc1ccc(I)c2[nH]cnc12
InChIInChI=1S/C8H6ClIN2/c9-3-5-1-2-6(10)8-7(5)11-4-12-8/h1-2,4H,3H2,(H,11,12)
InChIKeyFLTFFMMHDIYHLZ-UHFFFAOYSA-N
MW292.51 g/mol
LogP2.91
Rot. Bonds1

About 4-(chloromethyl)-7-iodo-1H-benzimidazole

4-(chloromethyl)-7-iodo-1H-benzimidazole (PubChem CID 130934090) has the molecular formula C8H6ClIN2 and a molecular weight of 292.51 g/mol. Its IUPAC name is 4-(chloromethyl)-7-iodo-1H-benzimidazole.

Molecular Properties

Compound Name4-(chloromethyl)-7-iodo-1H-benzimidazole
PubChem CID130934090
Molecular FormulaC8H6ClIN2
Molecular Weight292.51 g/mol
Exact Mass291.93
IUPAC Name4-(chloromethyl)-7-iodo-1H-benzimidazole
SMILESClCc1ccc(I)c2[nH]cnc12
InChIInChI=1S/C8H6ClIN2/c9-3-5-1-2-6(10)8-7(5)11-4-12-8/h1-2,4H,3H2,(H,11,12)
InChIKeyFLTFFMMHDIYHLZ-UHFFFAOYSA-N
XLogP2.91
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.51
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-(chloromethyl)-1H-benzimidazol-4-yl]acetic acid
CID 131449389
5-(chloromethyl)-1H-benzimidazol-4-amine
CID 130970762
7-(hydroxymethyl)-3H-benzimidazole-4-carbonyl chloride
CID 130780335
4-chloro-5-iodo-1H-benzimidazole
CID 130951078
7-(bromomethyl)-3H-benzimidazole-4-carbonyl chloride
CID 130770630
(7-methoxy-1H-benzimidazol-4-yl)methanol
CID 130983658
2-(7-methoxy-1H-benzimidazol-4-yl)acetic acid
CID 131407690
1-(chloromethyl)-2-fluoro-3,4-diiodobenzene
CID 130882439
4-chloro-2-(chloromethyl)-1-iodobenzene
CID 58677341
4-(chloromethyl)-1H-benzimidazol-5-ol
CID 131027126
2-[7-(bromomethyl)-3H-benzimidazol-4-yl]-2-hydroxyacetic acid
CID 131355216
7-chloro-3H-benzimidazol-4-amine
CID 130049323

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-7-iodo-1H-benzimidazole?
The IUPAC name of 4-(chloromethyl)-7-iodo-1H-benzimidazole (CID 130934090) is 4-(chloromethyl)-7-iodo-1H-benzimidazole.
What is the SMILES notation for 4-(chloromethyl)-7-iodo-1H-benzimidazole?
The canonical SMILES for 4-(chloromethyl)-7-iodo-1H-benzimidazole is ClCc1ccc(I)c2[nH]cnc12.
What is the InChIKey of 4-(chloromethyl)-7-iodo-1H-benzimidazole?
The InChIKey is FLTFFMMHDIYHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClIN2/c9-3-5-1-2-6(10)8-7(5)11-4-12-8/h1-2,4H,3H2,(H,11,12).
What are the key properties of 4-(chloromethyl)-7-iodo-1H-benzimidazole?
4-(chloromethyl)-7-iodo-1H-benzimidazole has a molecular weight of 292.51 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-7-iodo-1H-benzimidazole is sourced from PubChem (CID 130934090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).