2-(chloromethyl)-5-iodo-1-piperidin-1-ylbenzimidazole

C13H15ClIN3 — CID 83017519

IUPAC2-(chloromethyl)-5-iodo-1-piperidin-1-ylbenzimidazole
SMILESClCc1nc2cc(I)ccc2n1N1CCCCC1
InChIInChI=1S/C13H15ClIN3/c14-9-13-16-11-8-10(15)4-5-12(11)18(13)17-6-2-1-3-7-17/h4-5,8H,1-3,6-7,9H2
InChIKeyGANRRJGAOGPKJI-UHFFFAOYSA-N
MW375.64 g/mol
LogP3.50
Rot. Bonds2

About 2-(chloromethyl)-5-iodo-1-piperidin-1-ylbenzimidazole

2-(chloromethyl)-5-iodo-1-piperidin-1-ylbenzimidazole (PubChem CID 83017519) has the molecular formula C13H15ClIN3 and a molecular weight of 375.64 g/mol. Its IUPAC name is 2-(chloromethyl)-5-iodo-1-piperidin-1-ylbenzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-5-iodo-1-piperidin-1-ylbenzimidazole
PubChem CID83017519
Molecular FormulaC13H15ClIN3
Molecular Weight375.64 g/mol
Exact Mass375.00
IUPAC Name2-(chloromethyl)-5-iodo-1-piperidin-1-ylbenzimidazole
SMILESClCc1nc2cc(I)ccc2n1N1CCCCC1
InChIInChI=1S/C13H15ClIN3/c14-9-13-16-11-8-10(15)4-5-12(11)18(13)17-6-2-1-3-7-17/h4-5,8H,1-3,6-7,9H2
InChIKeyGANRRJGAOGPKJI-UHFFFAOYSA-N
XLogP3.50
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.64
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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)-1-piperidin-1-yl-5-(trifluoromethyl)benzimidazole
CID 83018762
2-(chloromethyl)-1-(2-cyclobutylethyl)-5-iodobenzimidazole
CID 113479138
4-[2-(chloromethyl)-5-methylbenzimidazol-1-yl]morpholine
CID 83017150
6-bromo-2-(2-chloroethyl)-1-piperidin-1-ylbenzimidazole
CID 83018928
2-(chloromethyl)-1-(dicyclopropylmethyl)-5-iodobenzimidazole
CID 66081645
2-(chloromethyl)-1-(1-cyclopropylpyrrolidin-3-yl)-5-iodobenzimidazole
CID 66082440
1-piperidin-1-yl-2-propylbenzimidazol-5-amine
CID 83025271
2-(2-chloroethyl)-1-(2-cyclohexylethyl)-5-iodobenzimidazole
CID 66080253
2-(chloromethyl)-5-iodo-1-[(1-methylpiperidin-4-yl)methyl]benzimidazole
CID 66081257
2-(chloromethyl)-5-iodo-1-(4-methylpentyl)benzimidazole
CID 66081071
2-(chloromethyl)-1-[(1,4-dimethylpiperidin-4-yl)methyl]-5-iodobenzimidazole
CID 107164719
2-(chloromethyl)-1-(4-ethylcyclohexyl)-5-iodobenzimidazole
CID 66081249

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-iodo-1-piperidin-1-ylbenzimidazole?
The IUPAC name of 2-(chloromethyl)-5-iodo-1-piperidin-1-ylbenzimidazole (CID 83017519) is 2-(chloromethyl)-5-iodo-1-piperidin-1-ylbenzimidazole.
What is the SMILES notation for 2-(chloromethyl)-5-iodo-1-piperidin-1-ylbenzimidazole?
The canonical SMILES for 2-(chloromethyl)-5-iodo-1-piperidin-1-ylbenzimidazole is ClCc1nc2cc(I)ccc2n1N1CCCCC1.
What is the InChIKey of 2-(chloromethyl)-5-iodo-1-piperidin-1-ylbenzimidazole?
The InChIKey is GANRRJGAOGPKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClIN3/c14-9-13-16-11-8-10(15)4-5-12(11)18(13)17-6-2-1-3-7-17/h4-5,8H,1-3,6-7,9H2.
What are the key properties of 2-(chloromethyl)-5-iodo-1-piperidin-1-ylbenzimidazole?
2-(chloromethyl)-5-iodo-1-piperidin-1-ylbenzimidazole has a molecular weight of 375.64 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-iodo-1-piperidin-1-ylbenzimidazole is sourced from PubChem (CID 83017519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).