1-(2-fluoroethyl)-2,5,6-trimethyl-4,5-dihydrobenzimidazole

C12H17FN2 — CID 123630041

IUPAC1-(2-fluoroethyl)-2,5,6-trimethyl-4,5-dihydrobenzimidazole
SMILESCC1=Cc2c(nc(C)n2CCF)CC1C
InChIInChI=1S/C12H17FN2/c1-8-6-11-12(7-9(8)2)15(5-4-13)10(3)14-11/h7-8H,4-6H2,1-3H3
InChIKeyUUXYEOCQCXKLOP-UHFFFAOYSA-N
MW208.28 g/mol
LogP2.76
Rot. Bonds2

About 1-(2-fluoroethyl)-2,5,6-trimethyl-4,5-dihydrobenzimidazole

1-(2-fluoroethyl)-2,5,6-trimethyl-4,5-dihydrobenzimidazole (PubChem CID 123630041) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-2,5,6-trimethyl-4,5-dihydrobenzimidazole.

Molecular Properties

Compound Name1-(2-fluoroethyl)-2,5,6-trimethyl-4,5-dihydrobenzimidazole
PubChem CID123630041
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name1-(2-fluoroethyl)-2,5,6-trimethyl-4,5-dihydrobenzimidazole
SMILESCC1=Cc2c(nc(C)n2CCF)CC1C
InChIInChI=1S/C12H17FN2/c1-8-6-11-12(7-9(8)2)15(5-4-13)10(3)14-11/h7-8H,4-6H2,1-3H3
InChIKeyUUXYEOCQCXKLOP-UHFFFAOYSA-N
XLogP2.76
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-2,5,6-trimethyl-4,5-dihydrobenzimidazole?
The IUPAC name of 1-(2-fluoroethyl)-2,5,6-trimethyl-4,5-dihydrobenzimidazole (CID 123630041) is 1-(2-fluoroethyl)-2,5,6-trimethyl-4,5-dihydrobenzimidazole.
What is the SMILES notation for 1-(2-fluoroethyl)-2,5,6-trimethyl-4,5-dihydrobenzimidazole?
The canonical SMILES for 1-(2-fluoroethyl)-2,5,6-trimethyl-4,5-dihydrobenzimidazole is CC1=Cc2c(nc(C)n2CCF)CC1C.
What is the InChIKey of 1-(2-fluoroethyl)-2,5,6-trimethyl-4,5-dihydrobenzimidazole?
The InChIKey is UUXYEOCQCXKLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c1-8-6-11-12(7-9(8)2)15(5-4-13)10(3)14-11/h7-8H,4-6H2,1-3H3.
What are the key properties of 1-(2-fluoroethyl)-2,5,6-trimethyl-4,5-dihydrobenzimidazole?
1-(2-fluoroethyl)-2,5,6-trimethyl-4,5-dihydrobenzimidazole has a molecular weight of 208.28 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-2,5,6-trimethyl-4,5-dihydrobenzimidazole is sourced from PubChem (CID 123630041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).