2-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-methylcyclopentan-1-amine

C15H20FN3 — CID 82763149

IUPAC2-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-methylcyclopentan-1-amine
SMILESCCn1c(C2(C)CCCC2N)nc2cc(F)ccc21
InChIInChI=1S/C15H20FN3/c1-3-19-12-7-6-10(16)9-11(12)18-14(19)15(2)8-4-5-13(15)17/h6-7,9,13H,3-5,8,17H2,1-2H3
InChIKeyIAITZUSJSZHJNJ-UHFFFAOYSA-N
MW261.34 g/mol
LogP2.96
Rot. Bonds2

About 2-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-methylcyclopentan-1-amine

2-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-methylcyclopentan-1-amine (PubChem CID 82763149) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is 2-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-methylcyclopentan-1-amine.

Molecular Properties

Compound Name2-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-methylcyclopentan-1-amine
PubChem CID82763149
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name2-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-methylcyclopentan-1-amine
SMILESCCn1c(C2(C)CCCC2N)nc2cc(F)ccc21
InChIInChI=1S/C15H20FN3/c1-3-19-12-7-6-10(16)9-11(12)18-14(19)15(2)8-4-5-13(15)17/h6-7,9,13H,3-5,8,17H2,1-2H3
InChIKeyIAITZUSJSZHJNJ-UHFFFAOYSA-N
XLogP2.96
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-methylcyclopentan-1-amine?
The IUPAC name of 2-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-methylcyclopentan-1-amine (CID 82763149) is 2-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-methylcyclopentan-1-amine.
What is the SMILES notation for 2-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-methylcyclopentan-1-amine?
The canonical SMILES for 2-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-methylcyclopentan-1-amine is CCn1c(C2(C)CCCC2N)nc2cc(F)ccc21.
What is the InChIKey of 2-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-methylcyclopentan-1-amine?
The InChIKey is IAITZUSJSZHJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-3-19-12-7-6-10(16)9-11(12)18-14(19)15(2)8-4-5-13(15)17/h6-7,9,13H,3-5,8,17H2,1-2H3.
What are the key properties of 2-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-methylcyclopentan-1-amine?
2-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-methylcyclopentan-1-amine has a molecular weight of 261.34 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-methylcyclopentan-1-amine is sourced from PubChem (CID 82763149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).