cyclohexyl-(1-ethyl-6-fluorobenzimidazol-2-yl)methanamine

C16H22FN3 — CID 62377258

IUPACcyclohexyl-(1-ethyl-6-fluorobenzimidazol-2-yl)methanamine
SMILESCCn1c(C(N)C2CCCCC2)nc2ccc(F)cc21
InChIInChI=1S/C16H22FN3/c1-2-20-14-10-12(17)8-9-13(14)19-16(20)15(18)11-6-4-3-5-7-11/h8-11,15H,2-7,18H2,1H3
InChIKeyJLEAONBXXZVIBA-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.78
Rot. Bonds3

About cyclohexyl-(1-ethyl-6-fluorobenzimidazol-2-yl)methanamine

cyclohexyl-(1-ethyl-6-fluorobenzimidazol-2-yl)methanamine (PubChem CID 62377258) has the molecular formula C16H22FN3 and a molecular weight of 275.37 g/mol. Its IUPAC name is cyclohexyl-(1-ethyl-6-fluorobenzimidazol-2-yl)methanamine.

Molecular Properties

Compound Namecyclohexyl-(1-ethyl-6-fluorobenzimidazol-2-yl)methanamine
PubChem CID62377258
Molecular FormulaC16H22FN3
Molecular Weight275.37 g/mol
Exact Mass275.18
IUPAC Namecyclohexyl-(1-ethyl-6-fluorobenzimidazol-2-yl)methanamine
SMILESCCn1c(C(N)C2CCCCC2)nc2ccc(F)cc21
InChIInChI=1S/C16H22FN3/c1-2-20-14-10-12(17)8-9-13(14)19-16(20)15(18)11-6-4-3-5-7-11/h8-11,15H,2-7,18H2,1H3
InChIKeyJLEAONBXXZVIBA-UHFFFAOYSA-N
XLogP3.78
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(1-ethyl-6-fluorobenzimidazol-2-yl)methanamine?
The IUPAC name of cyclohexyl-(1-ethyl-6-fluorobenzimidazol-2-yl)methanamine (CID 62377258) is cyclohexyl-(1-ethyl-6-fluorobenzimidazol-2-yl)methanamine.
What is the SMILES notation for cyclohexyl-(1-ethyl-6-fluorobenzimidazol-2-yl)methanamine?
The canonical SMILES for cyclohexyl-(1-ethyl-6-fluorobenzimidazol-2-yl)methanamine is CCn1c(C(N)C2CCCCC2)nc2ccc(F)cc21.
What is the InChIKey of cyclohexyl-(1-ethyl-6-fluorobenzimidazol-2-yl)methanamine?
The InChIKey is JLEAONBXXZVIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3/c1-2-20-14-10-12(17)8-9-13(14)19-16(20)15(18)11-6-4-3-5-7-11/h8-11,15H,2-7,18H2,1H3.
What are the key properties of cyclohexyl-(1-ethyl-6-fluorobenzimidazol-2-yl)methanamine?
cyclohexyl-(1-ethyl-6-fluorobenzimidazol-2-yl)methanamine has a molecular weight of 275.37 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(1-ethyl-6-fluorobenzimidazol-2-yl)methanamine is sourced from PubChem (CID 62377258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).