1-(methylamino)-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol

C12H14F3N3O — CID 3159019

IUPAC1-(methylamino)-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol
SMILESCNCC(O)Cn1c(C(F)(F)F)nc2ccccc21
InChIInChI=1S/C12H14F3N3O/c1-16-6-8(19)7-18-10-5-3-2-4-9(10)17-11(18)12(13,14)15/h2-5,8,16,19H,6-7H2,1H3
InChIKeyYZDOPYVGAQAWIW-UHFFFAOYSA-N
MW273.26 g/mol
LogP1.64
Rot. Bonds4

About 1-(methylamino)-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol

1-(methylamino)-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol (PubChem CID 3159019) has the molecular formula C12H14F3N3O and a molecular weight of 273.26 g/mol. Its IUPAC name is 1-(methylamino)-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(methylamino)-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol
PubChem CID3159019
Molecular FormulaC12H14F3N3O
Molecular Weight273.26 g/mol
Exact Mass273.11
IUPAC Name1-(methylamino)-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol
SMILESCNCC(O)Cn1c(C(F)(F)F)nc2ccccc21
InChIInChI=1S/C12H14F3N3O/c1-16-6-8(19)7-18-10-5-3-2-4-9(10)17-11(18)12(13,14)15/h2-5,8,16,19H,6-7H2,1H3
InChIKeyYZDOPYVGAQAWIW-UHFFFAOYSA-N
XLogP1.64
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol?
The IUPAC name of 1-(methylamino)-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol (CID 3159019) is 1-(methylamino)-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol.
What is the SMILES notation for 1-(methylamino)-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol?
The canonical SMILES for 1-(methylamino)-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol is CNCC(O)Cn1c(C(F)(F)F)nc2ccccc21.
What is the InChIKey of 1-(methylamino)-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol?
The InChIKey is YZDOPYVGAQAWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O/c1-16-6-8(19)7-18-10-5-3-2-4-9(10)17-11(18)12(13,14)15/h2-5,8,16,19H,6-7H2,1H3.
What are the key properties of 1-(methylamino)-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol?
1-(methylamino)-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol has a molecular weight of 273.26 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol is sourced from PubChem (CID 3159019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).