1-(2,3-dimethylcyclohexyl)-5-fluorobenzimidazol-2-amine

C15H20FN3 — CID 43661615

IUPAC1-(2,3-dimethylcyclohexyl)-5-fluorobenzimidazol-2-amine
SMILESCC1CCCC(n2c(N)nc3cc(F)ccc32)C1C
InChIInChI=1S/C15H20FN3/c1-9-4-3-5-13(10(9)2)19-14-7-6-11(16)8-12(14)18-15(19)17/h6-10,13H,3-5H2,1-2H3,(H2,17,18)
InChIKeyUZRIPYSHFZJDEY-UHFFFAOYSA-N
MW261.34 g/mol
LogP3.75
Rot. Bonds1

About 1-(2,3-dimethylcyclohexyl)-5-fluorobenzimidazol-2-amine

1-(2,3-dimethylcyclohexyl)-5-fluorobenzimidazol-2-amine (PubChem CID 43661615) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is 1-(2,3-dimethylcyclohexyl)-5-fluorobenzimidazol-2-amine.

Molecular Properties

Compound Name1-(2,3-dimethylcyclohexyl)-5-fluorobenzimidazol-2-amine
PubChem CID43661615
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name1-(2,3-dimethylcyclohexyl)-5-fluorobenzimidazol-2-amine
SMILESCC1CCCC(n2c(N)nc3cc(F)ccc32)C1C
InChIInChI=1S/C15H20FN3/c1-9-4-3-5-13(10(9)2)19-14-7-6-11(16)8-12(14)18-15(19)17/h6-10,13H,3-5H2,1-2H3,(H2,17,18)
InChIKeyUZRIPYSHFZJDEY-UHFFFAOYSA-N
XLogP3.75
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylcyclohexyl)-5-fluorobenzimidazol-2-amine?
The IUPAC name of 1-(2,3-dimethylcyclohexyl)-5-fluorobenzimidazol-2-amine (CID 43661615) is 1-(2,3-dimethylcyclohexyl)-5-fluorobenzimidazol-2-amine.
What is the SMILES notation for 1-(2,3-dimethylcyclohexyl)-5-fluorobenzimidazol-2-amine?
The canonical SMILES for 1-(2,3-dimethylcyclohexyl)-5-fluorobenzimidazol-2-amine is CC1CCCC(n2c(N)nc3cc(F)ccc32)C1C.
What is the InChIKey of 1-(2,3-dimethylcyclohexyl)-5-fluorobenzimidazol-2-amine?
The InChIKey is UZRIPYSHFZJDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-9-4-3-5-13(10(9)2)19-14-7-6-11(16)8-12(14)18-15(19)17/h6-10,13H,3-5H2,1-2H3,(H2,17,18).
What are the key properties of 1-(2,3-dimethylcyclohexyl)-5-fluorobenzimidazol-2-amine?
1-(2,3-dimethylcyclohexyl)-5-fluorobenzimidazol-2-amine has a molecular weight of 261.34 g/mol, XLogP of 3.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylcyclohexyl)-5-fluorobenzimidazol-2-amine is sourced from PubChem (CID 43661615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).