2-(chloromethyl)-5-iodo-1-(1-methoxypentan-2-yl)benzimidazole

C14H18ClIN2O — CID 66080675

IUPAC2-(chloromethyl)-5-iodo-1-(1-methoxypentan-2-yl)benzimidazole
SMILESCCCC(COC)n1c(CCl)nc2cc(I)ccc21
InChIInChI=1S/C14H18ClIN2O/c1-3-4-11(9-19-2)18-13-6-5-10(16)7-12(13)17-14(18)8-15/h5-7,11H,3-4,8-9H2,1-2H3
InChIKeySUTPBVZDAKYUFK-UHFFFAOYSA-N
MW392.67 g/mol
LogP4.37
Rot. Bonds6

About 2-(chloromethyl)-5-iodo-1-(1-methoxypentan-2-yl)benzimidazole

2-(chloromethyl)-5-iodo-1-(1-methoxypentan-2-yl)benzimidazole (PubChem CID 66080675) has the molecular formula C14H18ClIN2O and a molecular weight of 392.67 g/mol. Its IUPAC name is 2-(chloromethyl)-5-iodo-1-(1-methoxypentan-2-yl)benzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-5-iodo-1-(1-methoxypentan-2-yl)benzimidazole
PubChem CID66080675
Molecular FormulaC14H18ClIN2O
Molecular Weight392.67 g/mol
Exact Mass392.02
IUPAC Name2-(chloromethyl)-5-iodo-1-(1-methoxypentan-2-yl)benzimidazole
SMILESCCCC(COC)n1c(CCl)nc2cc(I)ccc21
InChIInChI=1S/C14H18ClIN2O/c1-3-4-11(9-19-2)18-13-6-5-10(16)7-12(13)17-14(18)8-15/h5-7,11H,3-4,8-9H2,1-2H3
InChIKeySUTPBVZDAKYUFK-UHFFFAOYSA-N
XLogP4.37
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.67
LogP ≤ 54.37
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)-5-iodo-1-(4-methoxybutan-2-yl)benzimidazole
CID 66082460
2-(chloromethyl)-5-methyl-1-octan-4-ylbenzimidazole
CID 106020241
3-[2-(chloromethyl)-5-iodobenzimidazol-1-yl]-N,N-dimethylbutan-1-amine
CID 66081844
2-(chloromethyl)-1-hexan-3-yl-5,6-dimethoxybenzimidazole
CID 83003880
6-chloro-2-(chloromethyl)-1-(1-methoxybutan-2-yl)benzimidazole
CID 113316386
5-bromo-2-(chloromethyl)-1-(1-methoxypropan-2-yl)benzimidazole
CID 43660026
2-(chloromethyl)-1-(dicyclopropylmethyl)-5-iodobenzimidazole
CID 66081645
2-(chloromethyl)-6-fluoro-5-iodo-1-octan-4-ylbenzimidazole
CID 106020170
2-[2-(chloromethyl)-5-iodobenzimidazol-1-yl]-N,N,3-trimethylbutan-1-amine
CID 66081448
2-[2-(chloromethyl)-5-iodobenzimidazol-1-yl]-N-ethylpropanamide
CID 66080655
2-(chloromethyl)-5-iodo-1-(3-propoxypropyl)benzimidazole
CID 82943666
5-iodo-1-(1-methoxypropan-2-yl)benzimidazol-2-amine
CID 66081185

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-iodo-1-(1-methoxypentan-2-yl)benzimidazole?
The IUPAC name of 2-(chloromethyl)-5-iodo-1-(1-methoxypentan-2-yl)benzimidazole (CID 66080675) is 2-(chloromethyl)-5-iodo-1-(1-methoxypentan-2-yl)benzimidazole.
What is the SMILES notation for 2-(chloromethyl)-5-iodo-1-(1-methoxypentan-2-yl)benzimidazole?
The canonical SMILES for 2-(chloromethyl)-5-iodo-1-(1-methoxypentan-2-yl)benzimidazole is CCCC(COC)n1c(CCl)nc2cc(I)ccc21.
What is the InChIKey of 2-(chloromethyl)-5-iodo-1-(1-methoxypentan-2-yl)benzimidazole?
The InChIKey is SUTPBVZDAKYUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClIN2O/c1-3-4-11(9-19-2)18-13-6-5-10(16)7-12(13)17-14(18)8-15/h5-7,11H,3-4,8-9H2,1-2H3.
What are the key properties of 2-(chloromethyl)-5-iodo-1-(1-methoxypentan-2-yl)benzimidazole?
2-(chloromethyl)-5-iodo-1-(1-methoxypentan-2-yl)benzimidazole has a molecular weight of 392.67 g/mol, XLogP of 4.37, 6 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-(1-methoxypentan-2-yl)benzimidazole is sourced from PubChem (CID 66080675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).