2-(chloromethyl)-1-(dicyclopropylmethyl)-5-iodobenzimidazole

C15H16ClIN2 — CID 66081645

IUPAC2-(chloromethyl)-1-(dicyclopropylmethyl)-5-iodobenzimidazole
SMILESClCc1nc2cc(I)ccc2n1C(C1CC1)C1CC1
InChIInChI=1S/C15H16ClIN2/c16-8-14-18-12-7-11(17)5-6-13(12)19(14)15(9-1-2-9)10-3-4-10/h5-7,9-10,15H,1-4,8H2
InChIKeyXQACXVCYRYZDAT-UHFFFAOYSA-N
MW386.66 g/mol
LogP4.74
Rot. Bonds4

About 2-(chloromethyl)-1-(dicyclopropylmethyl)-5-iodobenzimidazole

2-(chloromethyl)-1-(dicyclopropylmethyl)-5-iodobenzimidazole (PubChem CID 66081645) has the molecular formula C15H16ClIN2 and a molecular weight of 386.66 g/mol. Its IUPAC name is 2-(chloromethyl)-1-(dicyclopropylmethyl)-5-iodobenzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-1-(dicyclopropylmethyl)-5-iodobenzimidazole
PubChem CID66081645
Molecular FormulaC15H16ClIN2
Molecular Weight386.66 g/mol
Exact Mass386.00
IUPAC Name2-(chloromethyl)-1-(dicyclopropylmethyl)-5-iodobenzimidazole
SMILESClCc1nc2cc(I)ccc2n1C(C1CC1)C1CC1
InChIInChI=1S/C15H16ClIN2/c16-8-14-18-12-7-11(17)5-6-13(12)19(14)15(9-1-2-9)10-3-4-10/h5-7,9-10,15H,1-4,8H2
InChIKeyXQACXVCYRYZDAT-UHFFFAOYSA-N
XLogP4.74
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.66
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(1-chloroethyl)-1-(dicyclopropylmethyl)-5-iodobenzimidazole
CID 66081644
2-(chloromethyl)-1-(2-cyclopropylpropyl)-5-iodobenzimidazole
CID 113475683
6-bromo-2-(chloromethyl)-1-(dicyclopropylmethyl)benzimidazole
CID 65346411
3-[2-(chloromethyl)-5-iodobenzimidazol-1-yl]-N,N-dimethylbutan-1-amine
CID 66081844
2-(chloromethyl)-5-iodo-1-(4-methoxybutan-2-yl)benzimidazole
CID 66082460
2-(2-chloroethyl)-1-(dicyclopropylmethyl)-6-fluorobenzimidazole
CID 62376179
2-[2-(chloromethyl)-5-iodobenzimidazol-1-yl]-N,N,3-trimethylbutan-1-amine
CID 66081448
2-(chloromethyl)-5-iodo-1-(1-methoxypentan-2-yl)benzimidazole
CID 66080675
2-(chloromethyl)-1-(2-cyclobutylethyl)-5-iodobenzimidazole
CID 113479138
2-(chloromethyl)-1-(4-ethylcyclohexyl)-5-iodobenzimidazole
CID 66081249
2-[2-(chloromethyl)-5-iodobenzimidazol-1-yl]-N-ethylpropanamide
CID 66080655
2-(chloromethyl)-3-(dicyclopropylmethyl)-5-methoxyimidazo[4,5-b]pyridine
CID 115322851

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-(dicyclopropylmethyl)-5-iodobenzimidazole?
The IUPAC name of 2-(chloromethyl)-1-(dicyclopropylmethyl)-5-iodobenzimidazole (CID 66081645) is 2-(chloromethyl)-1-(dicyclopropylmethyl)-5-iodobenzimidazole.
What is the SMILES notation for 2-(chloromethyl)-1-(dicyclopropylmethyl)-5-iodobenzimidazole?
The canonical SMILES for 2-(chloromethyl)-1-(dicyclopropylmethyl)-5-iodobenzimidazole is ClCc1nc2cc(I)ccc2n1C(C1CC1)C1CC1.
What is the InChIKey of 2-(chloromethyl)-1-(dicyclopropylmethyl)-5-iodobenzimidazole?
The InChIKey is XQACXVCYRYZDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClIN2/c16-8-14-18-12-7-11(17)5-6-13(12)19(14)15(9-1-2-9)10-3-4-10/h5-7,9-10,15H,1-4,8H2.
What are the key properties of 2-(chloromethyl)-1-(dicyclopropylmethyl)-5-iodobenzimidazole?
2-(chloromethyl)-1-(dicyclopropylmethyl)-5-iodobenzimidazole has a molecular weight of 386.66 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-(dicyclopropylmethyl)-5-iodobenzimidazole is sourced from PubChem (CID 66081645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).