6-[2-[2-amino-5-(trifluoromethyl)benzimidazol-1-yl]ethylamino]-1-[[4-(difluoromethoxy)phenyl]methyl]-3-[(4-fluorophenyl)methyl]-1,3,5-triazine-2,4-dione

C28H23F6N7O3 — CID 42605962

IUPAC6-[2-[2-amino-5-(trifluoromethyl)benzimidazol-1-yl]ethylamino]-1-[[4-(difluoromethoxy)phenyl]methyl]-3-[(4-fluorophenyl)methyl]-1,3,5-triazine-2,4-dione
SMILESNc1nc2cc(C(F)(F)F)ccc2n1CCNc1nc(=O)n(Cc2ccc(F)cc2)c(=O)n1Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C28H23F6N7O3/c29-19-6-1-16(2-7-19)15-41-26(42)38-25(40(27(41)43)14-17-3-8-20(9-4-17)44-23(30)31)36-11-12-39-22-10-5-18(28(32,33)34)13-21(22)37-24(39)35/h1-10,13,23H,11-12,14-15H2,(H2,35,37)(H,36,38,42)
InChIKeySVWMZLJNKRACLL-UHFFFAOYSA-N
MW619.53 g/mol
LogP4.30
Rot. Bonds10

About 6-[2-[2-amino-5-(trifluoromethyl)benzimidazol-1-yl]ethylamino]-1-[[4-(difluoromethoxy)phenyl]methyl]-3-[(4-fluorophenyl)methyl]-1,3,5-triazine-2,4-dione

6-[2-[2-amino-5-(trifluoromethyl)benzimidazol-1-yl]ethylamino]-1-[[4-(difluoromethoxy)phenyl]methyl]-3-[(4-fluorophenyl)methyl]-1,3,5-triazine-2,4-dione (PubChem CID 42605962) has the molecular formula C28H23F6N7O3 and a molecular weight of 619.53 g/mol. Its IUPAC name is 6-[2-[2-amino-5-(trifluoromethyl)benzimidazol-1-yl]ethylamino]-1-[[4-(difluoromethoxy)phenyl]methyl]-3-[(4-fluorophenyl)methyl]-1,3,5-triazine-2,4-dione.

Molecular Properties

Compound Name6-[2-[2-amino-5-(trifluoromethyl)benzimidazol-1-yl]ethylamino]-1-[[4-(difluoromethoxy)phenyl]methyl]-3-[(4-fluorophenyl)methyl]-1,3,5-triazine-2,4-dione
PubChem CID42605962
Molecular FormulaC28H23F6N7O3
Molecular Weight619.53 g/mol
Exact Mass619.18
IUPAC Name6-[2-[2-amino-5-(trifluoromethyl)benzimidazol-1-yl]ethylamino]-1-[[4-(difluoromethoxy)phenyl]methyl]-3-[(4-fluorophenyl)methyl]-1,3,5-triazine-2,4-dione
SMILESNc1nc2cc(C(F)(F)F)ccc2n1CCNc1nc(=O)n(Cc2ccc(F)cc2)c(=O)n1Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C28H23F6N7O3/c29-19-6-1-16(2-7-19)15-41-26(42)38-25(40(27(41)43)14-17-3-8-20(9-4-17)44-23(30)31)36-11-12-39-22-10-5-18(28(32,33)34)13-21(22)37-24(39)35/h1-10,13,23H,11-12,14-15H2,(H2,35,37)(H,36,38,42)
InChIKeySVWMZLJNKRACLL-UHFFFAOYSA-N
XLogP4.30
TPSA121.99 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500619.53
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 6-[2-[2-amino-5-(trifluoromethyl)benzimidazol-1-yl]ethylamino]-1-[[4-(difluoromethoxy)phenyl]methyl]-3-[(4-fluorophenyl)methyl]-1,3,5-triazine-2,4-dione with MolForge

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

Launch Full Analysis

Related Compounds

6-[2-(2-amino-5-fluorobenzimidazol-1-yl)ethylamino]-3-[(4-fluorophenyl)methyl]-1-[[4-(trifluoromethoxy)phenyl]methyl]-1,3,5-triazine-2,4-dione
CID 42606187
6-[2-(2-amino-6,7-difluorobenzimidazol-1-yl)ethylamino]-1-[[4-(difluoromethoxy)phenyl]methyl]-3-[(4-fluorophenyl)methyl]-1,3,5-triazine-2,4-dione
CID 42606072
6-[2-(2-amino-7-fluoro-4H-quinazolin-3-yl)ethylamino]-1-[[4-(difluoromethoxy)phenyl]methyl]-3-[(4-fluorophenyl)methyl]-1,3,5-triazine-2,4-dione
CID 42606542
6-[2-(2-amino-7-methoxy-4H-quinazolin-3-yl)ethylamino]-1-[[4-(difluoromethoxy)phenyl]methyl]-3-[(4-fluorophenyl)methyl]-1,3,5-triazine-2,4-dione
CID 42606782
2,2,2-trifluoro-N-[1-[2-[[5-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-4,6-dioxo-1,3,5-triazin-2-yl]amino]ethyl]benzimidazol-2-yl]acetamide
CID 42605737
6-butan-2-yl-1-[[4-(difluoromethoxy)phenyl]methyl]-3-[(4-fluorophenyl)methyl]-1,3,5-triazine-2,4-dione;ethane
CID 143502399
1-[(4-phenylphenyl)methyl]-5-(trifluoromethyl)benzimidazol-2-amine
CID 19390948
5-fluoro-1-[(4-fluorophenyl)methyl]benzimidazol-2-amine
CID 43661623
1-[[4-(dimethylamino)phenyl]methyl]-5-(trifluoromethyl)benzimidazol-2-amine
CID 18522078
6-[2-(2-amino-3-pyridinyl)ethylamino]-3-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-dione
CID 24861734
3-[(4-methoxyphenyl)methyl]-6-[3-(trifluoromethyl)anilino]-1-[[4-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4-dione
CID 58578898
1-butyl-5-(trifluoromethyl)benzimidazol-2-amine
CID 115501979

Frequently Asked Questions

What is the IUPAC name of 6-[2-[2-amino-5-(trifluoromethyl)benzimidazol-1-yl]ethylamino]-1-[[4-(difluoromethoxy)phenyl]methyl]-3-[(4-fluorophenyl)methyl]-1,3,5-triazine-2,4-dione?
The IUPAC name of 6-[2-[2-amino-5-(trifluoromethyl)benzimidazol-1-yl]ethylamino]-1-[[4-(difluoromethoxy)phenyl]methyl]-3-[(4-fluorophenyl)methyl]-1,3,5-triazine-2,4-dione (CID 42605962) is 6-[2-[2-amino-5-(trifluoromethyl)benzimidazol-1-yl]ethylamino]-1-[[4-(difluoromethoxy)phenyl]methyl]-3-[(4-fluorophenyl)methyl]-1,3,5-triazine-2,4-dione.
What is the SMILES notation for 6-[2-[2-amino-5-(trifluoromethyl)benzimidazol-1-yl]ethylamino]-1-[[4-(difluoromethoxy)phenyl]methyl]-3-[(4-fluorophenyl)methyl]-1,3,5-triazine-2,4-dione?
The canonical SMILES for 6-[2-[2-amino-5-(trifluoromethyl)benzimidazol-1-yl]ethylamino]-1-[[4-(difluoromethoxy)phenyl]methyl]-3-[(4-fluorophenyl)methyl]-1,3,5-triazine-2,4-dione is Nc1nc2cc(C(F)(F)F)ccc2n1CCNc1nc(=O)n(Cc2ccc(F)cc2)c(=O)n1Cc1ccc(OC(F)F)cc1.
What is the InChIKey of 6-[2-[2-amino-5-(trifluoromethyl)benzimidazol-1-yl]ethylamino]-1-[[4-(difluoromethoxy)phenyl]methyl]-3-[(4-fluorophenyl)methyl]-1,3,5-triazine-2,4-dione?
The InChIKey is SVWMZLJNKRACLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23F6N7O3/c29-19-6-1-16(2-7-19)15-41-26(42)38-25(40(27(41)43)14-17-3-8-20(9-4-17)44-23(30)31)36-11-12-39-22-10-5-18(28(32,33)34)13-21(22)37-24(39)35/h1-10,13,23H,11-12,14-15H2,(H2,35,37)(H,36,38,42).
What are the key properties of 6-[2-[2-amino-5-(trifluoromethyl)benzimidazol-1-yl]ethylamino]-1-[[4-(difluoromethoxy)phenyl]methyl]-3-[(4-fluorophenyl)methyl]-1,3,5-triazine-2,4-dione?
6-[2-[2-amino-5-(trifluoromethyl)benzimidazol-1-yl]ethylamino]-1-[[4-(difluoromethoxy)phenyl]methyl]-3-[(4-fluorophenyl)methyl]-1,3,5-triazine-2,4-dione has a molecular weight of 619.53 g/mol, XLogP of 4.30, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[2-amino-5-(trifluoromethyl)benzimidazol-1-yl]ethylamino]-1-[[4-(difluoromethoxy)phenyl]methyl]-3-[(4-fluorophenyl)methyl]-1,3,5-triazine-2,4-dione is sourced from PubChem (CID 42605962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).