2-(chloromethyl)-5,6-diiodo-1H-benzimidazole

C8H5ClI2N2 — CID 118176409

IUPAC2-(chloromethyl)-5,6-diiodo-1H-benzimidazole
SMILESClCc1nc2cc(I)c(I)cc2[nH]1
InChIInChI=1S/C8H5ClI2N2/c9-3-8-12-6-1-4(10)5(11)2-7(6)13-8/h1-2H,3H2,(H,12,13)
InChIKeyMPSVMZHENYLBPZ-UHFFFAOYSA-N
MW418.40 g/mol
LogP3.51
Rot. Bonds1

About 2-(chloromethyl)-5,6-diiodo-1H-benzimidazole

2-(chloromethyl)-5,6-diiodo-1H-benzimidazole (PubChem CID 118176409) has the molecular formula C8H5ClI2N2 and a molecular weight of 418.40 g/mol. Its IUPAC name is 2-(chloromethyl)-5,6-diiodo-1H-benzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-5,6-diiodo-1H-benzimidazole
PubChem CID118176409
Molecular FormulaC8H5ClI2N2
Molecular Weight418.40 g/mol
Exact Mass417.82
IUPAC Name2-(chloromethyl)-5,6-diiodo-1H-benzimidazole
SMILESClCc1nc2cc(I)c(I)cc2[nH]1
InChIInChI=1S/C8H5ClI2N2/c9-3-8-12-6-1-4(10)5(11)2-7(6)13-8/h1-2H,3H2,(H,12,13)
InChIKeyMPSVMZHENYLBPZ-UHFFFAOYSA-N
XLogP3.51
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.40
LogP ≤ 53.51
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-(chloromethyl)-5,6-dimethoxy-1H-benzimidazole;hydrochloride
CID 75481538
6-bromo-2-(chloromethyl)-1H-benzimidazole;dihydrochloride
CID 154729465
2-(chloromethyl)-6-ethyl-1H-benzimidazole
CID 14096341
2-(chloromethyl)-1H-thieno[3,4-d]imidazole
CID 22065996
2-(chloromethyl)-4,5,6,7-tetradeuterio-1H-benzimidazole
CID 162702140
5,6-dichloro-2-(2-chloroethyl)-1H-benzimidazole
CID 82004888
4,6-dibromo-2-(chloromethyl)-1H-benzimidazole
CID 11174733
2,7-bis(chloromethyl)-3,8-dihydropyrimido[4,5-g]quinazoline-4,9-dione
CID 135437105
2-(chloromethyl)-6-methoxy-1H-benzimidazole;methane;(6-methoxy-1H-benzimidazol-2-yl)methanol
CID 161003256
(5,6-dichloro-1H-benzimidazol-2-yl)methanethiol
CID 102056508
2-(chloromethyl)-6-(4-methylpentyl)-1H-benzimidazole
CID 91291350
6-chloro-5-iodo-2-methyl-1H-benzimidazole
CID 152925781

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5,6-diiodo-1H-benzimidazole?
The IUPAC name of 2-(chloromethyl)-5,6-diiodo-1H-benzimidazole (CID 118176409) is 2-(chloromethyl)-5,6-diiodo-1H-benzimidazole.
What is the SMILES notation for 2-(chloromethyl)-5,6-diiodo-1H-benzimidazole?
The canonical SMILES for 2-(chloromethyl)-5,6-diiodo-1H-benzimidazole is ClCc1nc2cc(I)c(I)cc2[nH]1.
What is the InChIKey of 2-(chloromethyl)-5,6-diiodo-1H-benzimidazole?
The InChIKey is MPSVMZHENYLBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClI2N2/c9-3-8-12-6-1-4(10)5(11)2-7(6)13-8/h1-2H,3H2,(H,12,13).
What are the key properties of 2-(chloromethyl)-5,6-diiodo-1H-benzimidazole?
2-(chloromethyl)-5,6-diiodo-1H-benzimidazole has a molecular weight of 418.40 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5,6-diiodo-1H-benzimidazole is sourced from PubChem (CID 118176409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).