2-amino-3-methoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]benzimidazol-2-yl]propanamide

C19H19F3N4O2 — CID 120988933

IUPAC2-amino-3-methoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]benzimidazol-2-yl]propanamide
SMILESCOCC(N)C(=O)Nc1nc2ccccc2n1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H19F3N4O2/c1-28-11-14(23)17(27)25-18-24-15-7-2-3-8-16(15)26(18)10-12-5-4-6-13(9-12)19(20,21)22/h2-9,14H,10-11,23H2,1H3,(H,24,25,27)
InChIKeyATYZBTYOXDFTGL-UHFFFAOYSA-N
MW392.38 g/mol
LogP3.02
Rot. Bonds6

About 2-amino-3-methoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]benzimidazol-2-yl]propanamide

2-amino-3-methoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]benzimidazol-2-yl]propanamide (PubChem CID 120988933) has the molecular formula C19H19F3N4O2 and a molecular weight of 392.38 g/mol. Its IUPAC name is 2-amino-3-methoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]benzimidazol-2-yl]propanamide.

Molecular Properties

Compound Name2-amino-3-methoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]benzimidazol-2-yl]propanamide
PubChem CID120988933
Molecular FormulaC19H19F3N4O2
Molecular Weight392.38 g/mol
Exact Mass392.15
IUPAC Name2-amino-3-methoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]benzimidazol-2-yl]propanamide
SMILESCOCC(N)C(=O)Nc1nc2ccccc2n1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H19F3N4O2/c1-28-11-14(23)17(27)25-18-24-15-7-2-3-8-16(15)26(18)10-12-5-4-6-13(9-12)19(20,21)22/h2-9,14H,10-11,23H2,1H3,(H,24,25,27)
InChIKeyATYZBTYOXDFTGL-UHFFFAOYSA-N
XLogP3.02
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]benzimidazol-2-yl]propanamide?
The IUPAC name of 2-amino-3-methoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]benzimidazol-2-yl]propanamide (CID 120988933) is 2-amino-3-methoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]benzimidazol-2-yl]propanamide.
What is the SMILES notation for 2-amino-3-methoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]benzimidazol-2-yl]propanamide?
The canonical SMILES for 2-amino-3-methoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]benzimidazol-2-yl]propanamide is COCC(N)C(=O)Nc1nc2ccccc2n1Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-amino-3-methoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]benzimidazol-2-yl]propanamide?
The InChIKey is ATYZBTYOXDFTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O2/c1-28-11-14(23)17(27)25-18-24-15-7-2-3-8-16(15)26(18)10-12-5-4-6-13(9-12)19(20,21)22/h2-9,14H,10-11,23H2,1H3,(H,24,25,27).
What are the key properties of 2-amino-3-methoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]benzimidazol-2-yl]propanamide?
2-amino-3-methoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]benzimidazol-2-yl]propanamide has a molecular weight of 392.38 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]benzimidazol-2-yl]propanamide is sourced from PubChem (CID 120988933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).