5-chloro-1-(2,3-dimethylcyclohexyl)-6-fluorobenzimidazol-2-amine

C15H19ClFN3 — CID 66078877

IUPAC5-chloro-1-(2,3-dimethylcyclohexyl)-6-fluorobenzimidazol-2-amine
SMILESCC1CCCC(n2c(N)nc3cc(Cl)c(F)cc32)C1C
InChIInChI=1S/C15H19ClFN3/c1-8-4-3-5-13(9(8)2)20-14-7-11(17)10(16)6-12(14)19-15(20)18/h6-9,13H,3-5H2,1-2H3,(H2,18,19)
InChIKeyBGCNTOFOCHCHMC-UHFFFAOYSA-N
MW295.79 g/mol
LogP4.41
Rot. Bonds1

About 5-chloro-1-(2,3-dimethylcyclohexyl)-6-fluorobenzimidazol-2-amine

5-chloro-1-(2,3-dimethylcyclohexyl)-6-fluorobenzimidazol-2-amine (PubChem CID 66078877) has the molecular formula C15H19ClFN3 and a molecular weight of 295.79 g/mol. Its IUPAC name is 5-chloro-1-(2,3-dimethylcyclohexyl)-6-fluorobenzimidazol-2-amine.

Molecular Properties

Compound Name5-chloro-1-(2,3-dimethylcyclohexyl)-6-fluorobenzimidazol-2-amine
PubChem CID66078877
Molecular FormulaC15H19ClFN3
Molecular Weight295.79 g/mol
Exact Mass295.13
IUPAC Name5-chloro-1-(2,3-dimethylcyclohexyl)-6-fluorobenzimidazol-2-amine
SMILESCC1CCCC(n2c(N)nc3cc(Cl)c(F)cc32)C1C
InChIInChI=1S/C15H19ClFN3/c1-8-4-3-5-13(9(8)2)20-14-7-11(17)10(16)6-12(14)19-15(20)18/h6-9,13H,3-5H2,1-2H3,(H2,18,19)
InChIKeyBGCNTOFOCHCHMC-UHFFFAOYSA-N
XLogP4.41
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.79
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(2,3-dimethylcyclohexyl)-6-fluorobenzimidazol-2-amine?
The IUPAC name of 5-chloro-1-(2,3-dimethylcyclohexyl)-6-fluorobenzimidazol-2-amine (CID 66078877) is 5-chloro-1-(2,3-dimethylcyclohexyl)-6-fluorobenzimidazol-2-amine.
What is the SMILES notation for 5-chloro-1-(2,3-dimethylcyclohexyl)-6-fluorobenzimidazol-2-amine?
The canonical SMILES for 5-chloro-1-(2,3-dimethylcyclohexyl)-6-fluorobenzimidazol-2-amine is CC1CCCC(n2c(N)nc3cc(Cl)c(F)cc32)C1C.
What is the InChIKey of 5-chloro-1-(2,3-dimethylcyclohexyl)-6-fluorobenzimidazol-2-amine?
The InChIKey is BGCNTOFOCHCHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFN3/c1-8-4-3-5-13(9(8)2)20-14-7-11(17)10(16)6-12(14)19-15(20)18/h6-9,13H,3-5H2,1-2H3,(H2,18,19).
What are the key properties of 5-chloro-1-(2,3-dimethylcyclohexyl)-6-fluorobenzimidazol-2-amine?
5-chloro-1-(2,3-dimethylcyclohexyl)-6-fluorobenzimidazol-2-amine has a molecular weight of 295.79 g/mol, XLogP of 4.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(2,3-dimethylcyclohexyl)-6-fluorobenzimidazol-2-amine is sourced from PubChem (CID 66078877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).