1-(2-bicyclo[2.2.1]heptanyl)-6-fluoro-5-iodobenzimidazol-2-amine

C14H15FIN3 — CID 66101194

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-6-fluoro-5-iodobenzimidazol-2-amine
SMILESNc1nc2cc(I)c(F)cc2n1C1CC2CCC1C2
InChIInChI=1S/C14H15FIN3/c15-9-5-13-11(6-10(9)16)18-14(17)19(13)12-4-7-1-2-8(12)3-7/h5-8,12H,1-4H2,(H2,17,18)
InChIKeyCCDIZEDKGSHOQO-UHFFFAOYSA-N
MW371.20 g/mol
LogP3.72
Rot. Bonds1

About 1-(2-bicyclo[2.2.1]heptanyl)-6-fluoro-5-iodobenzimidazol-2-amine

1-(2-bicyclo[2.2.1]heptanyl)-6-fluoro-5-iodobenzimidazol-2-amine (PubChem CID 66101194) has the molecular formula C14H15FIN3 and a molecular weight of 371.20 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-6-fluoro-5-iodobenzimidazol-2-amine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-6-fluoro-5-iodobenzimidazol-2-amine
PubChem CID66101194
Molecular FormulaC14H15FIN3
Molecular Weight371.20 g/mol
Exact Mass371.03
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-6-fluoro-5-iodobenzimidazol-2-amine
SMILESNc1nc2cc(I)c(F)cc2n1C1CC2CCC1C2
InChIInChI=1S/C14H15FIN3/c15-9-5-13-11(6-10(9)16)18-14(17)19(13)12-4-7-1-2-8(12)3-7/h5-8,12H,1-4H2,(H2,17,18)
InChIKeyCCDIZEDKGSHOQO-UHFFFAOYSA-N
XLogP3.72
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.20
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-1-((4-fluorophenyl)methyl)-1H-benzimidazole
CID 3019305
1-[(4-fluorophenyl)methyl]-1H-1,3-benzodiazole
CID 755572
1-(4-Fluorobenzyl)-2-chlorobenzimidazole
CID 3020241
2-Amino-1-benzylbenzimidazole
CID 170742
4-(4-Fluorophenyl)-1,4-dihydro[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 2999054
1-(2-phenylethyl)-1H-benzimidazol-2-ylamine
CID 828642
N-(2-fluorobenzyl)-1-methyl-1H-benzimidazol-2-amine
CID 16012601
(1S)-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]-2-methyl-propan-1-amine
CID 54757343
1-(2-Fluorobenzyl)-1H-benzoimidazol-2-ylamine
CID 886688
1-[(4-fluorophenyl)methyl]-2-methyl-1H-1,3-benzodiazole
CID 888750
1-[(2-Fluorophenyl)methyl]benzimidazole
CID 2945575
(1S)-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]-2-methylbutan-1-amine
CID 25186931

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-6-fluoro-5-iodobenzimidazol-2-amine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-6-fluoro-5-iodobenzimidazol-2-amine (CID 66101194) is 1-(2-bicyclo[2.2.1]heptanyl)-6-fluoro-5-iodobenzimidazol-2-amine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-6-fluoro-5-iodobenzimidazol-2-amine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-6-fluoro-5-iodobenzimidazol-2-amine is Nc1nc2cc(I)c(F)cc2n1C1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-6-fluoro-5-iodobenzimidazol-2-amine?
The InChIKey is CCDIZEDKGSHOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FIN3/c15-9-5-13-11(6-10(9)16)18-14(17)19(13)12-4-7-1-2-8(12)3-7/h5-8,12H,1-4H2,(H2,17,18).
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-6-fluoro-5-iodobenzimidazol-2-amine?
1-(2-bicyclo[2.2.1]heptanyl)-6-fluoro-5-iodobenzimidazol-2-amine has a molecular weight of 371.20 g/mol, XLogP of 3.72, 1 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]heptanyl)-6-fluoro-5-iodobenzimidazol-2-amine is sourced from PubChem (CID 66101194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).