2-(2-amino-4-fluorobenzimidazol-1-yl)cyclohexan-1-ol

C13H16FN3O — CID 62359258

IUPAC2-(2-amino-4-fluorobenzimidazol-1-yl)cyclohexan-1-ol
SMILESNc1nc2c(F)cccc2n1C1CCCCC1O
InChIInChI=1S/C13H16FN3O/c14-8-4-3-6-10-12(8)16-13(15)17(10)9-5-1-2-7-11(9)18/h3-4,6,9,11,18H,1-2,5,7H2,(H2,15,16)
InChIKeySNRKWMGNQLKSOT-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.23
Rot. Bonds1

About 2-(2-amino-4-fluorobenzimidazol-1-yl)cyclohexan-1-ol

2-(2-amino-4-fluorobenzimidazol-1-yl)cyclohexan-1-ol (PubChem CID 62359258) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is 2-(2-amino-4-fluorobenzimidazol-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(2-amino-4-fluorobenzimidazol-1-yl)cyclohexan-1-ol
PubChem CID62359258
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name2-(2-amino-4-fluorobenzimidazol-1-yl)cyclohexan-1-ol
SMILESNc1nc2c(F)cccc2n1C1CCCCC1O
InChIInChI=1S/C13H16FN3O/c14-8-4-3-6-10-12(8)16-13(15)17(10)9-5-1-2-7-11(9)18/h3-4,6,9,11,18H,1-2,5,7H2,(H2,15,16)
InChIKeySNRKWMGNQLKSOT-UHFFFAOYSA-N
XLogP2.23
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-fluorobenzimidazol-1-yl)cyclohexan-1-ol?
The IUPAC name of 2-(2-amino-4-fluorobenzimidazol-1-yl)cyclohexan-1-ol (CID 62359258) is 2-(2-amino-4-fluorobenzimidazol-1-yl)cyclohexan-1-ol.
What is the SMILES notation for 2-(2-amino-4-fluorobenzimidazol-1-yl)cyclohexan-1-ol?
The canonical SMILES for 2-(2-amino-4-fluorobenzimidazol-1-yl)cyclohexan-1-ol is Nc1nc2c(F)cccc2n1C1CCCCC1O.
What is the InChIKey of 2-(2-amino-4-fluorobenzimidazol-1-yl)cyclohexan-1-ol?
The InChIKey is SNRKWMGNQLKSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c14-8-4-3-6-10-12(8)16-13(15)17(10)9-5-1-2-7-11(9)18/h3-4,6,9,11,18H,1-2,5,7H2,(H2,15,16).
What are the key properties of 2-(2-amino-4-fluorobenzimidazol-1-yl)cyclohexan-1-ol?
2-(2-amino-4-fluorobenzimidazol-1-yl)cyclohexan-1-ol has a molecular weight of 249.29 g/mol, XLogP of 2.23, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-fluorobenzimidazol-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 62359258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).