6-fluoro-5-iodo-1-(1-methylpiperidin-3-yl)benzimidazol-2-amine

C13H16FIN4 — CID 66101576

IUPAC6-fluoro-5-iodo-1-(1-methylpiperidin-3-yl)benzimidazol-2-amine
SMILESCN1CCCC(n2c(N)nc3cc(I)c(F)cc32)C1
InChIInChI=1S/C13H16FIN4/c1-18-4-2-3-8(7-18)19-12-5-9(14)10(15)6-11(12)17-13(19)16/h5-6,8H,2-4,7H2,1H3,(H2,16,17)
InChIKeyHQPKCIDFRHDGQX-UHFFFAOYSA-N
MW374.20 g/mol
LogP2.63
Rot. Bonds1

About 6-fluoro-5-iodo-1-(1-methylpiperidin-3-yl)benzimidazol-2-amine

6-fluoro-5-iodo-1-(1-methylpiperidin-3-yl)benzimidazol-2-amine (PubChem CID 66101576) has the molecular formula C13H16FIN4 and a molecular weight of 374.20 g/mol. Its IUPAC name is 6-fluoro-5-iodo-1-(1-methylpiperidin-3-yl)benzimidazol-2-amine.

Molecular Properties

Compound Name6-fluoro-5-iodo-1-(1-methylpiperidin-3-yl)benzimidazol-2-amine
PubChem CID66101576
Molecular FormulaC13H16FIN4
Molecular Weight374.20 g/mol
Exact Mass374.04
IUPAC Name6-fluoro-5-iodo-1-(1-methylpiperidin-3-yl)benzimidazol-2-amine
SMILESCN1CCCC(n2c(N)nc3cc(I)c(F)cc32)C1
InChIInChI=1S/C13H16FIN4/c1-18-4-2-3-8(7-18)19-12-5-9(14)10(15)6-11(12)17-13(19)16/h5-6,8H,2-4,7H2,1H3,(H2,16,17)
InChIKeyHQPKCIDFRHDGQX-UHFFFAOYSA-N
XLogP2.63
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.20
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-iodo-1-(1-methylpiperidin-3-yl)benzimidazol-2-amine?
The IUPAC name of 6-fluoro-5-iodo-1-(1-methylpiperidin-3-yl)benzimidazol-2-amine (CID 66101576) is 6-fluoro-5-iodo-1-(1-methylpiperidin-3-yl)benzimidazol-2-amine.
What is the SMILES notation for 6-fluoro-5-iodo-1-(1-methylpiperidin-3-yl)benzimidazol-2-amine?
The canonical SMILES for 6-fluoro-5-iodo-1-(1-methylpiperidin-3-yl)benzimidazol-2-amine is CN1CCCC(n2c(N)nc3cc(I)c(F)cc32)C1.
What is the InChIKey of 6-fluoro-5-iodo-1-(1-methylpiperidin-3-yl)benzimidazol-2-amine?
The InChIKey is HQPKCIDFRHDGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FIN4/c1-18-4-2-3-8(7-18)19-12-5-9(14)10(15)6-11(12)17-13(19)16/h5-6,8H,2-4,7H2,1H3,(H2,16,17).
What are the key properties of 6-fluoro-5-iodo-1-(1-methylpiperidin-3-yl)benzimidazol-2-amine?
6-fluoro-5-iodo-1-(1-methylpiperidin-3-yl)benzimidazol-2-amine has a molecular weight of 374.20 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-iodo-1-(1-methylpiperidin-3-yl)benzimidazol-2-amine is sourced from PubChem (CID 66101576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).