2-(1H-benzimidazol-2-ylamino)-N-(2-hydroxyethyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide

C19H19F3N4O2 — CID 130366151

IUPAC2-(1H-benzimidazol-2-ylamino)-N-(2-hydroxyethyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCN(CCO)C(=O)C(Nc1nc2ccccc2[nH]1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H19F3N4O2/c1-26(9-10-27)17(28)16(12-5-4-6-13(11-12)19(20,21)22)25-18-23-14-7-2-3-8-15(14)24-18/h2-8,11,16,27H,9-10H2,1H3,(H2,23,24,25)
InChIKeySIGDJHRBDZBUBM-UHFFFAOYSA-N
MW392.38 g/mol
LogP3.19
Rot. Bonds6

About 2-(1H-benzimidazol-2-ylamino)-N-(2-hydroxyethyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide

2-(1H-benzimidazol-2-ylamino)-N-(2-hydroxyethyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 130366151) has the molecular formula C19H19F3N4O2 and a molecular weight of 392.38 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylamino)-N-(2-hydroxyethyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylamino)-N-(2-hydroxyethyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID130366151
Molecular FormulaC19H19F3N4O2
Molecular Weight392.38 g/mol
Exact Mass392.15
IUPAC Name2-(1H-benzimidazol-2-ylamino)-N-(2-hydroxyethyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCN(CCO)C(=O)C(Nc1nc2ccccc2[nH]1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H19F3N4O2/c1-26(9-10-27)17(28)16(12-5-4-6-13(11-12)19(20,21)22)25-18-23-14-7-2-3-8-15(14)24-18/h2-8,11,16,27H,9-10H2,1H3,(H2,23,24,25)
InChIKeySIGDJHRBDZBUBM-UHFFFAOYSA-N
XLogP3.19
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(1H-benzimidazol-2-ylamino)-N-(2-hydroxyethyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylamino)-N-(2-hydroxyethyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(1H-benzimidazol-2-ylamino)-N-(2-hydroxyethyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide (CID 130366151) is 2-(1H-benzimidazol-2-ylamino)-N-(2-hydroxyethyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylamino)-N-(2-hydroxyethyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(1H-benzimidazol-2-ylamino)-N-(2-hydroxyethyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide is CN(CCO)C(=O)C(Nc1nc2ccccc2[nH]1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylamino)-N-(2-hydroxyethyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is SIGDJHRBDZBUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O2/c1-26(9-10-27)17(28)16(12-5-4-6-13(11-12)19(20,21)22)25-18-23-14-7-2-3-8-15(14)24-18/h2-8,11,16,27H,9-10H2,1H3,(H2,23,24,25).
What are the key properties of 2-(1H-benzimidazol-2-ylamino)-N-(2-hydroxyethyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide?
2-(1H-benzimidazol-2-ylamino)-N-(2-hydroxyethyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 392.38 g/mol, XLogP of 3.19, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylamino)-N-(2-hydroxyethyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 130366151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).