N,N-dimethyl-2-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]pyridin-3-amine

C15H13F3N4O — CID 118889294

IUPACN,N-dimethyl-2-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]pyridin-3-amine
SMILESCN(C)c1cccnc1-c1nc2ccc(OC(F)(F)F)cc2[nH]1
InChIInChI=1S/C15H13F3N4O/c1-22(2)12-4-3-7-19-13(12)14-20-10-6-5-9(8-11(10)21-14)23-15(16,17)18/h3-8H,1-2H3,(H,20,21)
InChIKeyJVUMEASODBNHJY-UHFFFAOYSA-N
MW322.29 g/mol
LogP3.59
Rot. Bonds3

About N,N-dimethyl-2-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]pyridin-3-amine

N,N-dimethyl-2-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]pyridin-3-amine (PubChem CID 118889294) has the molecular formula C15H13F3N4O and a molecular weight of 322.29 g/mol. Its IUPAC name is N,N-dimethyl-2-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]pyridin-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]pyridin-3-amine
PubChem CID118889294
Molecular FormulaC15H13F3N4O
Molecular Weight322.29 g/mol
Exact Mass322.10
IUPAC NameN,N-dimethyl-2-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]pyridin-3-amine
SMILESCN(C)c1cccnc1-c1nc2ccc(OC(F)(F)F)cc2[nH]1
InChIInChI=1S/C15H13F3N4O/c1-22(2)12-4-3-7-19-13(12)14-20-10-6-5-9(8-11(10)21-14)23-15(16,17)18/h3-8H,1-2H3,(H,20,21)
InChIKeyJVUMEASODBNHJY-UHFFFAOYSA-N
XLogP3.59
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.29
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]pyridin-3-amine?
The IUPAC name of N,N-dimethyl-2-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]pyridin-3-amine (CID 118889294) is N,N-dimethyl-2-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]pyridin-3-amine.
What is the SMILES notation for N,N-dimethyl-2-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]pyridin-3-amine?
The canonical SMILES for N,N-dimethyl-2-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]pyridin-3-amine is CN(C)c1cccnc1-c1nc2ccc(OC(F)(F)F)cc2[nH]1.
What is the InChIKey of N,N-dimethyl-2-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]pyridin-3-amine?
The InChIKey is JVUMEASODBNHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4O/c1-22(2)12-4-3-7-19-13(12)14-20-10-6-5-9(8-11(10)21-14)23-15(16,17)18/h3-8H,1-2H3,(H,20,21).
What are the key properties of N,N-dimethyl-2-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]pyridin-3-amine?
N,N-dimethyl-2-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]pyridin-3-amine has a molecular weight of 322.29 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]pyridin-3-amine is sourced from PubChem (CID 118889294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).