2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

C14H17F3N4O2 — CID 4255225

IUPAC2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(O)CNc1nc2ccccc2n1CC(=O)NCC(F)(F)F
InChIInChI=1S/C14H17F3N4O2/c1-9(22)6-18-13-20-10-4-2-3-5-11(10)21(13)7-12(23)19-8-14(15,16)17/h2-5,9,22H,6-8H2,1H3,(H,18,20)(H,19,23)
InChIKeyOSVAJVAPXSNJPM-UHFFFAOYSA-N
MW330.31 g/mol
LogP1.51
Rot. Bonds6

About 2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 4255225) has the molecular formula C14H17F3N4O2 and a molecular weight of 330.31 g/mol. Its IUPAC name is 2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID4255225
Molecular FormulaC14H17F3N4O2
Molecular Weight330.31 g/mol
Exact Mass330.13
IUPAC Name2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(O)CNc1nc2ccccc2n1CC(=O)NCC(F)(F)F
InChIInChI=1S/C14H17F3N4O2/c1-9(22)6-18-13-20-10-4-2-3-5-11(10)21(13)7-12(23)19-8-14(15,16)17/h2-5,9,22H,6-8H2,1H3,(H,18,20)(H,19,23)
InChIKeyOSVAJVAPXSNJPM-UHFFFAOYSA-N
XLogP1.51
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 4255225) is 2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is CC(O)CNc1nc2ccccc2n1CC(=O)NCC(F)(F)F.
What is the InChIKey of 2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is OSVAJVAPXSNJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4O2/c1-9(22)6-18-13-20-10-4-2-3-5-11(10)21(13)7-12(23)19-8-14(15,16)17/h2-5,9,22H,6-8H2,1H3,(H,18,20)(H,19,23).
What are the key properties of 2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 330.31 g/mol, XLogP of 1.51, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 4255225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).