1-(2,3-dihydro-1H-inden-5-yl)-5-iodobenzimidazol-2-amine

C16H14IN3 — CID 66080003

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-5-iodobenzimidazol-2-amine
SMILESNc1nc2cc(I)ccc2n1-c1ccc2c(c1)CCC2
InChIInChI=1S/C16H14IN3/c17-12-5-7-15-14(9-12)19-16(18)20(15)13-6-4-10-2-1-3-11(10)8-13/h4-9H,1-3H2,(H2,18,19)
InChIKeyDFPGRIWVCZIZJJ-UHFFFAOYSA-N
MW375.21 g/mol
LogP3.70
Rot. Bonds1

About 1-(2,3-dihydro-1H-inden-5-yl)-5-iodobenzimidazol-2-amine

1-(2,3-dihydro-1H-inden-5-yl)-5-iodobenzimidazol-2-amine (PubChem CID 66080003) has the molecular formula C16H14IN3 and a molecular weight of 375.21 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-5-iodobenzimidazol-2-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-5-iodobenzimidazol-2-amine
PubChem CID66080003
Molecular FormulaC16H14IN3
Molecular Weight375.21 g/mol
Exact Mass375.02
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-5-iodobenzimidazol-2-amine
SMILESNc1nc2cc(I)ccc2n1-c1ccc2c(c1)CCC2
InChIInChI=1S/C16H14IN3/c17-12-5-7-15-14(9-12)19-16(18)20(15)13-6-4-10-2-1-3-11(10)8-13/h4-9H,1-3H2,(H2,18,19)
InChIKeyDFPGRIWVCZIZJJ-UHFFFAOYSA-N
XLogP3.70
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.21
LogP ≤ 53.70
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-(2,3-dihydro-1H-inden-5-yl)-5-iodobenzimidazol-2-amine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-5-iodobenzimidazol-2-amine (CID 66080003) is 1-(2,3-dihydro-1H-inden-5-yl)-5-iodobenzimidazol-2-amine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-5-iodobenzimidazol-2-amine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-5-iodobenzimidazol-2-amine is Nc1nc2cc(I)ccc2n1-c1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-5-iodobenzimidazol-2-amine?
The InChIKey is DFPGRIWVCZIZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14IN3/c17-12-5-7-15-14(9-12)19-16(18)20(15)13-6-4-10-2-1-3-11(10)8-13/h4-9H,1-3H2,(H2,18,19).
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-5-iodobenzimidazol-2-amine?
1-(2,3-dihydro-1H-inden-5-yl)-5-iodobenzimidazol-2-amine has a molecular weight of 375.21 g/mol, XLogP of 3.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-5-iodobenzimidazol-2-amine is sourced from PubChem (CID 66080003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).