1-(2-butoxyethyl)-5-fluoro-6-methoxybenzimidazol-2-amine

C14H20FN3O2 — CID 63597555

IUPAC1-(2-butoxyethyl)-5-fluoro-6-methoxybenzimidazol-2-amine
SMILESCCCCOCCn1c(N)nc2cc(F)c(OC)cc21
InChIInChI=1S/C14H20FN3O2/c1-3-4-6-20-7-5-18-12-9-13(19-2)10(15)8-11(12)17-14(18)16/h8-9H,3-7H2,1-2H3,(H2,16,17)
InChIKeyPUPYNDOCXFJLLM-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.58
Rot. Bonds7

About 1-(2-butoxyethyl)-5-fluoro-6-methoxybenzimidazol-2-amine

1-(2-butoxyethyl)-5-fluoro-6-methoxybenzimidazol-2-amine (PubChem CID 63597555) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is 1-(2-butoxyethyl)-5-fluoro-6-methoxybenzimidazol-2-amine.

Molecular Properties

Compound Name1-(2-butoxyethyl)-5-fluoro-6-methoxybenzimidazol-2-amine
PubChem CID63597555
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC Name1-(2-butoxyethyl)-5-fluoro-6-methoxybenzimidazol-2-amine
SMILESCCCCOCCn1c(N)nc2cc(F)c(OC)cc21
InChIInChI=1S/C14H20FN3O2/c1-3-4-6-20-7-5-18-12-9-13(19-2)10(15)8-11(12)17-14(18)16/h8-9H,3-7H2,1-2H3,(H2,16,17)
InChIKeyPUPYNDOCXFJLLM-UHFFFAOYSA-N
XLogP2.58
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-butoxyethyl)-5-fluoro-6-methoxybenzimidazol-2-amine?
The IUPAC name of 1-(2-butoxyethyl)-5-fluoro-6-methoxybenzimidazol-2-amine (CID 63597555) is 1-(2-butoxyethyl)-5-fluoro-6-methoxybenzimidazol-2-amine.
What is the SMILES notation for 1-(2-butoxyethyl)-5-fluoro-6-methoxybenzimidazol-2-amine?
The canonical SMILES for 1-(2-butoxyethyl)-5-fluoro-6-methoxybenzimidazol-2-amine is CCCCOCCn1c(N)nc2cc(F)c(OC)cc21.
What is the InChIKey of 1-(2-butoxyethyl)-5-fluoro-6-methoxybenzimidazol-2-amine?
The InChIKey is PUPYNDOCXFJLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O2/c1-3-4-6-20-7-5-18-12-9-13(19-2)10(15)8-11(12)17-14(18)16/h8-9H,3-7H2,1-2H3,(H2,16,17).
What are the key properties of 1-(2-butoxyethyl)-5-fluoro-6-methoxybenzimidazol-2-amine?
1-(2-butoxyethyl)-5-fluoro-6-methoxybenzimidazol-2-amine has a molecular weight of 281.33 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butoxyethyl)-5-fluoro-6-methoxybenzimidazol-2-amine is sourced from PubChem (CID 63597555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).