2-methyl-1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydrobenzimidazole

C11H15F3N2 — CID 116626614

IUPAC2-methyl-1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydrobenzimidazole
SMILESCc1nc2c(n1CCC(F)(F)F)CCCC2
InChIInChI=1S/C11H15F3N2/c1-8-15-9-4-2-3-5-10(9)16(8)7-6-11(12,13)14/h2-7H2,1H3
InChIKeyCVMMUODDCKIXQI-UHFFFAOYSA-N
MW232.25 g/mol
LogP3.02
Rot. Bonds2

About 2-methyl-1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydrobenzimidazole

2-methyl-1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydrobenzimidazole (PubChem CID 116626614) has the molecular formula C11H15F3N2 and a molecular weight of 232.25 g/mol. Its IUPAC name is 2-methyl-1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydrobenzimidazole.

Molecular Properties

Compound Name2-methyl-1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydrobenzimidazole
PubChem CID116626614
Molecular FormulaC11H15F3N2
Molecular Weight232.25 g/mol
Exact Mass232.12
IUPAC Name2-methyl-1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydrobenzimidazole
SMILESCc1nc2c(n1CCC(F)(F)F)CCCC2
InChIInChI=1S/C11H15F3N2/c1-8-15-9-4-2-3-5-10(9)16(8)7-6-11(12,13)14/h2-7H2,1H3
InChIKeyCVMMUODDCKIXQI-UHFFFAOYSA-N
XLogP3.02
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydrobenzimidazole?
The IUPAC name of 2-methyl-1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydrobenzimidazole (CID 116626614) is 2-methyl-1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydrobenzimidazole.
What is the SMILES notation for 2-methyl-1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydrobenzimidazole?
The canonical SMILES for 2-methyl-1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydrobenzimidazole is Cc1nc2c(n1CCC(F)(F)F)CCCC2.
What is the InChIKey of 2-methyl-1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydrobenzimidazole?
The InChIKey is CVMMUODDCKIXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2/c1-8-15-9-4-2-3-5-10(9)16(8)7-6-11(12,13)14/h2-7H2,1H3.
What are the key properties of 2-methyl-1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydrobenzimidazole?
2-methyl-1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydrobenzimidazole has a molecular weight of 232.25 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydrobenzimidazole is sourced from PubChem (CID 116626614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).