1-(4-ethylcyclohexyl)-4-fluorobenzimidazol-2-amine

C15H20FN3 — CID 61470261

IUPAC1-(4-ethylcyclohexyl)-4-fluorobenzimidazol-2-amine
SMILESCCC1CCC(n2c(N)nc3c(F)cccc32)CC1
InChIInChI=1S/C15H20FN3/c1-2-10-6-8-11(9-7-10)19-13-5-3-4-12(16)14(13)18-15(19)17/h3-5,10-11H,2,6-9H2,1H3,(H2,17,18)
InChIKeyWTWUYBCHBJCUIY-UHFFFAOYSA-N
MW261.34 g/mol
LogP3.90
Rot. Bonds2

About 1-(4-ethylcyclohexyl)-4-fluorobenzimidazol-2-amine

1-(4-ethylcyclohexyl)-4-fluorobenzimidazol-2-amine (PubChem CID 61470261) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is 1-(4-ethylcyclohexyl)-4-fluorobenzimidazol-2-amine.

Molecular Properties

Compound Name1-(4-ethylcyclohexyl)-4-fluorobenzimidazol-2-amine
PubChem CID61470261
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name1-(4-ethylcyclohexyl)-4-fluorobenzimidazol-2-amine
SMILESCCC1CCC(n2c(N)nc3c(F)cccc32)CC1
InChIInChI=1S/C15H20FN3/c1-2-10-6-8-11(9-7-10)19-13-5-3-4-12(16)14(13)18-15(19)17/h3-5,10-11H,2,6-9H2,1H3,(H2,17,18)
InChIKeyWTWUYBCHBJCUIY-UHFFFAOYSA-N
XLogP3.90
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 ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcyclohexyl)-4-fluorobenzimidazol-2-amine?
The IUPAC name of 1-(4-ethylcyclohexyl)-4-fluorobenzimidazol-2-amine (CID 61470261) is 1-(4-ethylcyclohexyl)-4-fluorobenzimidazol-2-amine.
What is the SMILES notation for 1-(4-ethylcyclohexyl)-4-fluorobenzimidazol-2-amine?
The canonical SMILES for 1-(4-ethylcyclohexyl)-4-fluorobenzimidazol-2-amine is CCC1CCC(n2c(N)nc3c(F)cccc32)CC1.
What is the InChIKey of 1-(4-ethylcyclohexyl)-4-fluorobenzimidazol-2-amine?
The InChIKey is WTWUYBCHBJCUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-2-10-6-8-11(9-7-10)19-13-5-3-4-12(16)14(13)18-15(19)17/h3-5,10-11H,2,6-9H2,1H3,(H2,17,18).
What are the key properties of 1-(4-ethylcyclohexyl)-4-fluorobenzimidazol-2-amine?
1-(4-ethylcyclohexyl)-4-fluorobenzimidazol-2-amine has a molecular weight of 261.34 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclohexyl)-4-fluorobenzimidazol-2-amine is sourced from PubChem (CID 61470261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).