3-[1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]propanamide

C21H18F3N5O3 — CID 167929340

IUPAC3-[1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]propanamide
SMILESCc1cccc(N2C(=O)NC(CCC(=O)Nc3nc4ccc(C(F)(F)F)cc4[nH]3)C2=O)c1
InChIInChI=1S/C21H18F3N5O3/c1-11-3-2-4-13(9-11)29-18(31)15(27-20(29)32)7-8-17(30)28-19-25-14-6-5-12(21(22,23)24)10-16(14)26-19/h2-6,9-10,15H,7-8H2,1H3,(H,27,32)(H2,25,26,28,30)
InChIKeyKWPZODFZBJODDO-UHFFFAOYSA-N
MW445.40 g/mol
LogP3.73
Rot. Bonds5

About 3-[1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]propanamide

3-[1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]propanamide (PubChem CID 167929340) has the molecular formula C21H18F3N5O3 and a molecular weight of 445.40 g/mol. Its IUPAC name is 3-[1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]propanamide.

Molecular Properties

Compound Name3-[1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]propanamide
PubChem CID167929340
Molecular FormulaC21H18F3N5O3
Molecular Weight445.40 g/mol
Exact Mass445.14
IUPAC Name3-[1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]propanamide
SMILESCc1cccc(N2C(=O)NC(CCC(=O)Nc3nc4ccc(C(F)(F)F)cc4[nH]3)C2=O)c1
InChIInChI=1S/C21H18F3N5O3/c1-11-3-2-4-13(9-11)29-18(31)15(27-20(29)32)7-8-17(30)28-19-25-14-6-5-12(21(22,23)24)10-16(14)26-19/h2-6,9-10,15H,7-8H2,1H3,(H,27,32)(H2,25,26,28,30)
InChIKeyKWPZODFZBJODDO-UHFFFAOYSA-N
XLogP3.73
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.40
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 3-[1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]propanamide 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 3-[1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]propanamide?
The IUPAC name of 3-[1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]propanamide (CID 167929340) is 3-[1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]propanamide.
What is the SMILES notation for 3-[1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]propanamide?
The canonical SMILES for 3-[1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]propanamide is Cc1cccc(N2C(=O)NC(CCC(=O)Nc3nc4ccc(C(F)(F)F)cc4[nH]3)C2=O)c1.
What is the InChIKey of 3-[1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]propanamide?
The InChIKey is KWPZODFZBJODDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N5O3/c1-11-3-2-4-13(9-11)29-18(31)15(27-20(29)32)7-8-17(30)28-19-25-14-6-5-12(21(22,23)24)10-16(14)26-19/h2-6,9-10,15H,7-8H2,1H3,(H,27,32)(H2,25,26,28,30).
What are the key properties of 3-[1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]propanamide?
3-[1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]propanamide has a molecular weight of 445.40 g/mol, XLogP of 3.73, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]propanamide is sourced from PubChem (CID 167929340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).