3-(2,6-dioxo-1,3-diazinan-1-yl)-N-[1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]propanamide

C16H16F3N5O3 — CID 46974444

IUPAC3-(2,6-dioxo-1,3-diazinan-1-yl)-N-[1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]propanamide
SMILESCn1c(C(F)(F)F)nc2cc(NC(=O)CCN3C(=O)CCNC3=O)ccc21
InChIInChI=1S/C16H16F3N5O3/c1-23-11-3-2-9(8-10(11)22-14(23)16(17,18)19)21-12(25)5-7-24-13(26)4-6-20-15(24)27/h2-3,8H,4-7H2,1H3,(H,20,27)(H,21,25)
InChIKeyVCIDLRSLDOMLAF-UHFFFAOYSA-N
MW383.33 g/mol
LogP1.86
Rot. Bonds4

About 3-(2,6-dioxo-1,3-diazinan-1-yl)-N-[1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]propanamide

3-(2,6-dioxo-1,3-diazinan-1-yl)-N-[1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]propanamide (PubChem CID 46974444) has the molecular formula C16H16F3N5O3 and a molecular weight of 383.33 g/mol. Its IUPAC name is 3-(2,6-dioxo-1,3-diazinan-1-yl)-N-[1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]propanamide.

Molecular Properties

Compound Name3-(2,6-dioxo-1,3-diazinan-1-yl)-N-[1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]propanamide
PubChem CID46974444
Molecular FormulaC16H16F3N5O3
Molecular Weight383.33 g/mol
Exact Mass383.12
IUPAC Name3-(2,6-dioxo-1,3-diazinan-1-yl)-N-[1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]propanamide
SMILESCn1c(C(F)(F)F)nc2cc(NC(=O)CCN3C(=O)CCNC3=O)ccc21
InChIInChI=1S/C16H16F3N5O3/c1-23-11-3-2-9(8-10(11)22-14(23)16(17,18)19)21-12(25)5-7-24-13(26)4-6-20-15(24)27/h2-3,8H,4-7H2,1H3,(H,20,27)(H,21,25)
InChIKeyVCIDLRSLDOMLAF-UHFFFAOYSA-N
XLogP1.86
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.33
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(2,6-dioxo-1,3-diazinan-1-yl)-N-[1-methyl-2-(trifluoromethyl)benzimidazol-5-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-(2,6-dioxo-1,3-diazinan-1-yl)-N-[1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]propanamide?
The IUPAC name of 3-(2,6-dioxo-1,3-diazinan-1-yl)-N-[1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]propanamide (CID 46974444) is 3-(2,6-dioxo-1,3-diazinan-1-yl)-N-[1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]propanamide.
What is the SMILES notation for 3-(2,6-dioxo-1,3-diazinan-1-yl)-N-[1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]propanamide?
The canonical SMILES for 3-(2,6-dioxo-1,3-diazinan-1-yl)-N-[1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]propanamide is Cn1c(C(F)(F)F)nc2cc(NC(=O)CCN3C(=O)CCNC3=O)ccc21.
What is the InChIKey of 3-(2,6-dioxo-1,3-diazinan-1-yl)-N-[1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]propanamide?
The InChIKey is VCIDLRSLDOMLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N5O3/c1-23-11-3-2-9(8-10(11)22-14(23)16(17,18)19)21-12(25)5-7-24-13(26)4-6-20-15(24)27/h2-3,8H,4-7H2,1H3,(H,20,27)(H,21,25).
What are the key properties of 3-(2,6-dioxo-1,3-diazinan-1-yl)-N-[1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]propanamide?
3-(2,6-dioxo-1,3-diazinan-1-yl)-N-[1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]propanamide has a molecular weight of 383.33 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dioxo-1,3-diazinan-1-yl)-N-[1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]propanamide is sourced from PubChem (CID 46974444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).