1-(2-bicyclo[2.2.1]heptanylmethyl)-5-iodobenzimidazol-2-amine

C15H18IN3 — CID 66082195

IUPAC1-(2-bicyclo[2.2.1]heptanylmethyl)-5-iodobenzimidazol-2-amine
SMILESNc1nc2cc(I)ccc2n1CC1CC2CCC1C2
InChIInChI=1S/C15H18IN3/c16-12-3-4-14-13(7-12)18-15(17)19(14)8-11-6-9-1-2-10(11)5-9/h3-4,7,9-11H,1-2,5-6,8H2,(H2,17,18)
InChIKeyDITKZMBUSZFBIS-UHFFFAOYSA-N
MW367.23 g/mol
LogP3.66
Rot. Bonds2

About 1-(2-bicyclo[2.2.1]heptanylmethyl)-5-iodobenzimidazol-2-amine

1-(2-bicyclo[2.2.1]heptanylmethyl)-5-iodobenzimidazol-2-amine (PubChem CID 66082195) has the molecular formula C15H18IN3 and a molecular weight of 367.23 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanylmethyl)-5-iodobenzimidazol-2-amine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanylmethyl)-5-iodobenzimidazol-2-amine
PubChem CID66082195
Molecular FormulaC15H18IN3
Molecular Weight367.23 g/mol
Exact Mass367.05
IUPAC Name1-(2-bicyclo[2.2.1]heptanylmethyl)-5-iodobenzimidazol-2-amine
SMILESNc1nc2cc(I)ccc2n1CC1CC2CCC1C2
InChIInChI=1S/C15H18IN3/c16-12-3-4-14-13(7-12)18-15(17)19(14)8-11-6-9-1-2-10(11)5-9/h3-4,7,9-11H,1-2,5-6,8H2,(H2,17,18)
InChIKeyDITKZMBUSZFBIS-UHFFFAOYSA-N
XLogP3.66
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.23
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethyl)-5-iodobenzimidazol-2-amine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethyl)-5-iodobenzimidazol-2-amine (CID 66082195) is 1-(2-bicyclo[2.2.1]heptanylmethyl)-5-iodobenzimidazol-2-amine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanylmethyl)-5-iodobenzimidazol-2-amine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanylmethyl)-5-iodobenzimidazol-2-amine is Nc1nc2cc(I)ccc2n1CC1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanylmethyl)-5-iodobenzimidazol-2-amine?
The InChIKey is DITKZMBUSZFBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18IN3/c16-12-3-4-14-13(7-12)18-15(17)19(14)8-11-6-9-1-2-10(11)5-9/h3-4,7,9-11H,1-2,5-6,8H2,(H2,17,18).
What are the key properties of 1-(2-bicyclo[2.2.1]heptanylmethyl)-5-iodobenzimidazol-2-amine?
1-(2-bicyclo[2.2.1]heptanylmethyl)-5-iodobenzimidazol-2-amine has a molecular weight of 367.23 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanylmethyl)-5-iodobenzimidazol-2-amine is sourced from PubChem (CID 66082195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).