2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine

C11H13F6N3 — CID 103311323

IUPAC2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine
SMILESCn1c(C(C(F)(F)F)C(F)(F)F)nc2c1CCC(N)C2
InChIInChI=1S/C11H13F6N3/c1-20-7-3-2-5(18)4-6(7)19-9(20)8(10(12,13)14)11(15,16)17/h5,8H,2-4,18H2,1H3
InChIKeyFDLCGZWWYRLKFE-UHFFFAOYSA-N
MW301.23 g/mol
LogP2.44
Rot. Bonds1

About 2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine

2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine (PubChem CID 103311323) has the molecular formula C11H13F6N3 and a molecular weight of 301.23 g/mol. Its IUPAC name is 2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine.

Molecular Properties

Compound Name2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine
PubChem CID103311323
Molecular FormulaC11H13F6N3
Molecular Weight301.23 g/mol
Exact Mass301.10
IUPAC Name2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine
SMILESCn1c(C(C(F)(F)F)C(F)(F)F)nc2c1CCC(N)C2
InChIInChI=1S/C11H13F6N3/c1-20-7-3-2-5(18)4-6(7)19-9(20)8(10(12,13)14)11(15,16)17/h5,8H,2-4,18H2,1H3
InChIKeyFDLCGZWWYRLKFE-UHFFFAOYSA-N
XLogP2.44
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine?
The IUPAC name of 2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine (CID 103311323) is 2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine.
What is the SMILES notation for 2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine?
The canonical SMILES for 2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine is Cn1c(C(C(F)(F)F)C(F)(F)F)nc2c1CCC(N)C2.
What is the InChIKey of 2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine?
The InChIKey is FDLCGZWWYRLKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F6N3/c1-20-7-3-2-5(18)4-6(7)19-9(20)8(10(12,13)14)11(15,16)17/h5,8H,2-4,18H2,1H3.
What are the key properties of 2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine?
2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine has a molecular weight of 301.23 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine is sourced from PubChem (CID 103311323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).