1-(2,3-dimethylcyclopentyl)-6-fluoro-5-iodobenzimidazol-2-amine

C14H17FIN3 — CID 66101388

IUPAC1-(2,3-dimethylcyclopentyl)-6-fluoro-5-iodobenzimidazol-2-amine
SMILESCC1CCC(n2c(N)nc3cc(I)c(F)cc32)C1C
InChIInChI=1S/C14H17FIN3/c1-7-3-4-12(8(7)2)19-13-5-9(15)10(16)6-11(13)18-14(19)17/h5-8,12H,3-4H2,1-2H3,(H2,17,18)
InChIKeyHZNSZCLUTCGYQC-UHFFFAOYSA-N
MW373.21 g/mol
LogP3.97
Rot. Bonds1

About 1-(2,3-dimethylcyclopentyl)-6-fluoro-5-iodobenzimidazol-2-amine

1-(2,3-dimethylcyclopentyl)-6-fluoro-5-iodobenzimidazol-2-amine (PubChem CID 66101388) has the molecular formula C14H17FIN3 and a molecular weight of 373.21 g/mol. Its IUPAC name is 1-(2,3-dimethylcyclopentyl)-6-fluoro-5-iodobenzimidazol-2-amine.

Molecular Properties

Compound Name1-(2,3-dimethylcyclopentyl)-6-fluoro-5-iodobenzimidazol-2-amine
PubChem CID66101388
Molecular FormulaC14H17FIN3
Molecular Weight373.21 g/mol
Exact Mass373.05
IUPAC Name1-(2,3-dimethylcyclopentyl)-6-fluoro-5-iodobenzimidazol-2-amine
SMILESCC1CCC(n2c(N)nc3cc(I)c(F)cc32)C1C
InChIInChI=1S/C14H17FIN3/c1-7-3-4-12(8(7)2)19-13-5-9(15)10(16)6-11(13)18-14(19)17/h5-8,12H,3-4H2,1-2H3,(H2,17,18)
InChIKeyHZNSZCLUTCGYQC-UHFFFAOYSA-N
XLogP3.97
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.21
LogP ≤ 53.97
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-dimethylcyclopentyl)-6-fluoro-5-iodobenzimidazol-2-amine?
The IUPAC name of 1-(2,3-dimethylcyclopentyl)-6-fluoro-5-iodobenzimidazol-2-amine (CID 66101388) is 1-(2,3-dimethylcyclopentyl)-6-fluoro-5-iodobenzimidazol-2-amine.
What is the SMILES notation for 1-(2,3-dimethylcyclopentyl)-6-fluoro-5-iodobenzimidazol-2-amine?
The canonical SMILES for 1-(2,3-dimethylcyclopentyl)-6-fluoro-5-iodobenzimidazol-2-amine is CC1CCC(n2c(N)nc3cc(I)c(F)cc32)C1C.
What is the InChIKey of 1-(2,3-dimethylcyclopentyl)-6-fluoro-5-iodobenzimidazol-2-amine?
The InChIKey is HZNSZCLUTCGYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FIN3/c1-7-3-4-12(8(7)2)19-13-5-9(15)10(16)6-11(13)18-14(19)17/h5-8,12H,3-4H2,1-2H3,(H2,17,18).
What are the key properties of 1-(2,3-dimethylcyclopentyl)-6-fluoro-5-iodobenzimidazol-2-amine?
1-(2,3-dimethylcyclopentyl)-6-fluoro-5-iodobenzimidazol-2-amine has a molecular weight of 373.21 g/mol, XLogP of 3.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylcyclopentyl)-6-fluoro-5-iodobenzimidazol-2-amine is sourced from PubChem (CID 66101388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).