5-iodo-1-(1-phenylpropyl)benzimidazol-2-amine

C16H16IN3 — CID 66081206

IUPAC5-iodo-1-(1-phenylpropyl)benzimidazol-2-amine
SMILESCCC(c1ccccc1)n1c(N)nc2cc(I)ccc21
InChIInChI=1S/C16H16IN3/c1-2-14(11-6-4-3-5-7-11)20-15-9-8-12(17)10-13(15)19-16(20)18/h3-10,14H,2H2,1H3,(H2,18,19)
InChIKeyWQFBLVVTLSDNQE-UHFFFAOYSA-N
MW377.23 g/mol
LogP4.22
Rot. Bonds3

About 5-iodo-1-(1-phenylpropyl)benzimidazol-2-amine

5-iodo-1-(1-phenylpropyl)benzimidazol-2-amine (PubChem CID 66081206) has the molecular formula C16H16IN3 and a molecular weight of 377.23 g/mol. Its IUPAC name is 5-iodo-1-(1-phenylpropyl)benzimidazol-2-amine.

Molecular Properties

Compound Name5-iodo-1-(1-phenylpropyl)benzimidazol-2-amine
PubChem CID66081206
Molecular FormulaC16H16IN3
Molecular Weight377.23 g/mol
Exact Mass377.04
IUPAC Name5-iodo-1-(1-phenylpropyl)benzimidazol-2-amine
SMILESCCC(c1ccccc1)n1c(N)nc2cc(I)ccc21
InChIInChI=1S/C16H16IN3/c1-2-14(11-6-4-3-5-7-11)20-15-9-8-12(17)10-13(15)19-16(20)18/h3-10,14H,2H2,1H3,(H2,18,19)
InChIKeyWQFBLVVTLSDNQE-UHFFFAOYSA-N
XLogP4.22
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.23
LogP ≤ 54.22
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-(1-phenylpropyl)benzimidazol-2-amine?
The IUPAC name of 5-iodo-1-(1-phenylpropyl)benzimidazol-2-amine (CID 66081206) is 5-iodo-1-(1-phenylpropyl)benzimidazol-2-amine.
What is the SMILES notation for 5-iodo-1-(1-phenylpropyl)benzimidazol-2-amine?
The canonical SMILES for 5-iodo-1-(1-phenylpropyl)benzimidazol-2-amine is CCC(c1ccccc1)n1c(N)nc2cc(I)ccc21.
What is the InChIKey of 5-iodo-1-(1-phenylpropyl)benzimidazol-2-amine?
The InChIKey is WQFBLVVTLSDNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16IN3/c1-2-14(11-6-4-3-5-7-11)20-15-9-8-12(17)10-13(15)19-16(20)18/h3-10,14H,2H2,1H3,(H2,18,19).
What are the key properties of 5-iodo-1-(1-phenylpropyl)benzimidazol-2-amine?
5-iodo-1-(1-phenylpropyl)benzimidazol-2-amine has a molecular weight of 377.23 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-1-(1-phenylpropyl)benzimidazol-2-amine is sourced from PubChem (CID 66081206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).