cyclohexyl-(4-fluoro-1-methylbenzimidazol-2-yl)methanamine

C15H20FN3 — CID 54902054

IUPACcyclohexyl-(4-fluoro-1-methylbenzimidazol-2-yl)methanamine
SMILESCn1c(C(N)C2CCCCC2)nc2c(F)cccc21
InChIInChI=1S/C15H20FN3/c1-19-12-9-5-8-11(16)14(12)18-15(19)13(17)10-6-3-2-4-7-10/h5,8-10,13H,2-4,6-7,17H2,1H3
InChIKeyCZRPGVRHFSXVLE-UHFFFAOYSA-N
MW261.34 g/mol
LogP3.29
Rot. Bonds2

About cyclohexyl-(4-fluoro-1-methylbenzimidazol-2-yl)methanamine

cyclohexyl-(4-fluoro-1-methylbenzimidazol-2-yl)methanamine (PubChem CID 54902054) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is cyclohexyl-(4-fluoro-1-methylbenzimidazol-2-yl)methanamine.

Molecular Properties

Compound Namecyclohexyl-(4-fluoro-1-methylbenzimidazol-2-yl)methanamine
PubChem CID54902054
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Namecyclohexyl-(4-fluoro-1-methylbenzimidazol-2-yl)methanamine
SMILESCn1c(C(N)C2CCCCC2)nc2c(F)cccc21
InChIInChI=1S/C15H20FN3/c1-19-12-9-5-8-11(16)14(12)18-15(19)13(17)10-6-3-2-4-7-10/h5,8-10,13H,2-4,6-7,17H2,1H3
InChIKeyCZRPGVRHFSXVLE-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(4-fluoro-1-methylbenzimidazol-2-yl)methanamine?
The IUPAC name of cyclohexyl-(4-fluoro-1-methylbenzimidazol-2-yl)methanamine (CID 54902054) is cyclohexyl-(4-fluoro-1-methylbenzimidazol-2-yl)methanamine.
What is the SMILES notation for cyclohexyl-(4-fluoro-1-methylbenzimidazol-2-yl)methanamine?
The canonical SMILES for cyclohexyl-(4-fluoro-1-methylbenzimidazol-2-yl)methanamine is Cn1c(C(N)C2CCCCC2)nc2c(F)cccc21.
What is the InChIKey of cyclohexyl-(4-fluoro-1-methylbenzimidazol-2-yl)methanamine?
The InChIKey is CZRPGVRHFSXVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-19-12-9-5-8-11(16)14(12)18-15(19)13(17)10-6-3-2-4-7-10/h5,8-10,13H,2-4,6-7,17H2,1H3.
What are the key properties of cyclohexyl-(4-fluoro-1-methylbenzimidazol-2-yl)methanamine?
cyclohexyl-(4-fluoro-1-methylbenzimidazol-2-yl)methanamine has a molecular weight of 261.34 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(4-fluoro-1-methylbenzimidazol-2-yl)methanamine is sourced from PubChem (CID 54902054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).