5-iodo-1-pentan-2-ylbenzimidazol-2-amine

C12H16IN3 — CID 66081380

IUPAC5-iodo-1-pentan-2-ylbenzimidazol-2-amine
SMILESCCCC(C)n1c(N)nc2cc(I)ccc21
InChIInChI=1S/C12H16IN3/c1-3-4-8(2)16-11-6-5-9(13)7-10(11)15-12(16)14/h5-8H,3-4H2,1-2H3,(H2,14,15)
InChIKeyRINWXGYQBNECLY-UHFFFAOYSA-N
MW329.19 g/mol
LogP3.58
Rot. Bonds3

About 5-iodo-1-pentan-2-ylbenzimidazol-2-amine

5-iodo-1-pentan-2-ylbenzimidazol-2-amine (PubChem CID 66081380) has the molecular formula C12H16IN3 and a molecular weight of 329.19 g/mol. Its IUPAC name is 5-iodo-1-pentan-2-ylbenzimidazol-2-amine.

Molecular Properties

Compound Name5-iodo-1-pentan-2-ylbenzimidazol-2-amine
PubChem CID66081380
Molecular FormulaC12H16IN3
Molecular Weight329.19 g/mol
Exact Mass329.04
IUPAC Name5-iodo-1-pentan-2-ylbenzimidazol-2-amine
SMILESCCCC(C)n1c(N)nc2cc(I)ccc21
InChIInChI=1S/C12H16IN3/c1-3-4-8(2)16-11-6-5-9(13)7-10(11)15-12(16)14/h5-8H,3-4H2,1-2H3,(H2,14,15)
InChIKeyRINWXGYQBNECLY-UHFFFAOYSA-N
XLogP3.58
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.19
LogP ≤ 53.58
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 5-iodo-1-pentan-2-ylbenzimidazol-2-amine?
The IUPAC name of 5-iodo-1-pentan-2-ylbenzimidazol-2-amine (CID 66081380) is 5-iodo-1-pentan-2-ylbenzimidazol-2-amine.
What is the SMILES notation for 5-iodo-1-pentan-2-ylbenzimidazol-2-amine?
The canonical SMILES for 5-iodo-1-pentan-2-ylbenzimidazol-2-amine is CCCC(C)n1c(N)nc2cc(I)ccc21.
What is the InChIKey of 5-iodo-1-pentan-2-ylbenzimidazol-2-amine?
The InChIKey is RINWXGYQBNECLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16IN3/c1-3-4-8(2)16-11-6-5-9(13)7-10(11)15-12(16)14/h5-8H,3-4H2,1-2H3,(H2,14,15).
What are the key properties of 5-iodo-1-pentan-2-ylbenzimidazol-2-amine?
5-iodo-1-pentan-2-ylbenzimidazol-2-amine has a molecular weight of 329.19 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-1-pentan-2-ylbenzimidazol-2-amine is sourced from PubChem (CID 66081380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).