1-[(1R,2R)-2-fluorocyclopentyl]-2-methylbenzimidazole

C13H15FN2 — CID 126847861

IUPAC1-[(1R,2R)-2-fluorocyclopentyl]-2-methylbenzimidazole
SMILESCc1nc2ccccc2n1[C@@H]1CCC[C@H]1F
InChIInChI=1S/C13H15FN2/c1-9-15-11-6-2-3-7-13(11)16(9)12-8-4-5-10(12)14/h2-3,6-7,10,12H,4-5,8H2,1H3/t10-,12-/m1/s1
InChIKeyFQINZFHPYQBNFK-ZYHUDNBSSA-N
MW218.28 g/mol
LogP3.41
Rot. Bonds1

About 1-[(1R,2R)-2-fluorocyclopentyl]-2-methylbenzimidazole

1-[(1R,2R)-2-fluorocyclopentyl]-2-methylbenzimidazole (PubChem CID 126847861) has the molecular formula C13H15FN2 and a molecular weight of 218.28 g/mol. Its IUPAC name is 1-[(1R,2R)-2-fluorocyclopentyl]-2-methylbenzimidazole.

Molecular Properties

Compound Name1-[(1R,2R)-2-fluorocyclopentyl]-2-methylbenzimidazole
PubChem CID126847861
Molecular FormulaC13H15FN2
Molecular Weight218.28 g/mol
Exact Mass218.12
IUPAC Name1-[(1R,2R)-2-fluorocyclopentyl]-2-methylbenzimidazole
SMILESCc1nc2ccccc2n1[C@@H]1CCC[C@H]1F
InChIInChI=1S/C13H15FN2/c1-9-15-11-6-2-3-7-13(11)16(9)12-8-4-5-10(12)14/h2-3,6-7,10,12H,4-5,8H2,1H3/t10-,12-/m1/s1
InChIKeyFQINZFHPYQBNFK-ZYHUDNBSSA-N
XLogP3.41
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-fluorocyclopentyl]-2-methylbenzimidazole?
The IUPAC name of 1-[(1R,2R)-2-fluorocyclopentyl]-2-methylbenzimidazole (CID 126847861) is 1-[(1R,2R)-2-fluorocyclopentyl]-2-methylbenzimidazole.
What is the SMILES notation for 1-[(1R,2R)-2-fluorocyclopentyl]-2-methylbenzimidazole?
The canonical SMILES for 1-[(1R,2R)-2-fluorocyclopentyl]-2-methylbenzimidazole is Cc1nc2ccccc2n1[C@@H]1CCC[C@H]1F.
What is the InChIKey of 1-[(1R,2R)-2-fluorocyclopentyl]-2-methylbenzimidazole?
The InChIKey is FQINZFHPYQBNFK-ZYHUDNBSSA-N. The full InChI is InChI=1S/C13H15FN2/c1-9-15-11-6-2-3-7-13(11)16(9)12-8-4-5-10(12)14/h2-3,6-7,10,12H,4-5,8H2,1H3/t10-,12-/m1/s1.
What are the key properties of 1-[(1R,2R)-2-fluorocyclopentyl]-2-methylbenzimidazole?
1-[(1R,2R)-2-fluorocyclopentyl]-2-methylbenzimidazole has a molecular weight of 218.28 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-fluorocyclopentyl]-2-methylbenzimidazole is sourced from PubChem (CID 126847861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).