6-(4-aminopiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine

C19H20F3N5 — CID 141181263

IUPAC6-(4-aminopiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine
SMILESNC1CCN(c2ccc3nc(Nc4ccccc4C(F)(F)F)[nH]c3c2)CC1
InChIInChI=1S/C19H20F3N5/c20-19(21,22)14-3-1-2-4-15(14)24-18-25-16-6-5-13(11-17(16)26-18)27-9-7-12(23)8-10-27/h1-6,11-12H,7-10,23H2,(H2,24,25,26)
InChIKeyMRTGNHANSWRDOI-UHFFFAOYSA-N
MW375.40 g/mol
LogP4.25
Rot. Bonds3

About 6-(4-aminopiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine

6-(4-aminopiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine (PubChem CID 141181263) has the molecular formula C19H20F3N5 and a molecular weight of 375.40 g/mol. Its IUPAC name is 6-(4-aminopiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name6-(4-aminopiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine
PubChem CID141181263
Molecular FormulaC19H20F3N5
Molecular Weight375.40 g/mol
Exact Mass375.17
IUPAC Name6-(4-aminopiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine
SMILESNC1CCN(c2ccc3nc(Nc4ccccc4C(F)(F)F)[nH]c3c2)CC1
InChIInChI=1S/C19H20F3N5/c20-19(21,22)14-3-1-2-4-15(14)24-18-25-16-6-5-13(11-17(16)26-18)27-9-7-12(23)8-10-27/h1-6,11-12H,7-10,23H2,(H2,24,25,26)
InChIKeyMRTGNHANSWRDOI-UHFFFAOYSA-N
XLogP4.25
TPSA69.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-aminopiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine?
The IUPAC name of 6-(4-aminopiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine (CID 141181263) is 6-(4-aminopiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine.
What is the SMILES notation for 6-(4-aminopiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine?
The canonical SMILES for 6-(4-aminopiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine is NC1CCN(c2ccc3nc(Nc4ccccc4C(F)(F)F)[nH]c3c2)CC1.
What is the InChIKey of 6-(4-aminopiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine?
The InChIKey is MRTGNHANSWRDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5/c20-19(21,22)14-3-1-2-4-15(14)24-18-25-16-6-5-13(11-17(16)26-18)27-9-7-12(23)8-10-27/h1-6,11-12H,7-10,23H2,(H2,24,25,26).
What are the key properties of 6-(4-aminopiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine?
6-(4-aminopiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine has a molecular weight of 375.40 g/mol, XLogP of 4.25, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-aminopiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 141181263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).