4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(1H-inden-5-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine

C24H21F2N7O — CID 162159231

IUPAC4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(1H-inden-5-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESFC(F)c1nc2ccccc2n1-c1nc(Nc2ccc3c(c2)C=CC3)nc(N2CCOCC2)n1
InChIInChI=1S/C24H21F2N7O/c25-20(26)21-28-18-6-1-2-7-19(18)33(21)24-30-22(29-23(31-24)32-10-12-34-13-11-32)27-17-9-8-15-4-3-5-16(15)14-17/h1-3,5-9,14,20H,4,10-13H2,(H,27,29,30,31)
InChIKeyZMGCTHQJVHBCSE-UHFFFAOYSA-N
MW461.48 g/mol
LogP4.30
Rot. Bonds5

About 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(1H-inden-5-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine

4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(1H-inden-5-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 162159231) has the molecular formula C24H21F2N7O and a molecular weight of 461.48 g/mol. Its IUPAC name is 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(1H-inden-5-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(1H-inden-5-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID162159231
Molecular FormulaC24H21F2N7O
Molecular Weight461.48 g/mol
Exact Mass461.18
IUPAC Name4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(1H-inden-5-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESFC(F)c1nc2ccccc2n1-c1nc(Nc2ccc3c(c2)C=CC3)nc(N2CCOCC2)n1
InChIInChI=1S/C24H21F2N7O/c25-20(26)21-28-18-6-1-2-7-19(18)33(21)24-30-22(29-23(31-24)32-10-12-34-13-11-32)27-17-9-8-15-4-3-5-16(15)14-17/h1-3,5-9,14,20H,4,10-13H2,(H,27,29,30,31)
InChIKeyZMGCTHQJVHBCSE-UHFFFAOYSA-N
XLogP4.30
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.48
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-3H-indol-6-amine
CID 158621311
5-N-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-N,2-N-dimethylpyridine-2,5-diamine
CID 68779056
4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-(1-methylpiperidin-4-yl)oxypyrimidin-5-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 66854529
4-[4-chloro-6-[2-(difluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]morpholine
CID 22036872
5-N-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-N-(2-morpholin-4-ylethyl)pyridine-2,5-diamine
CID 123563431
5-N-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-N-[2-(dimethylamino)ethyl]pyridine-2,5-diamine
CID 123166656
N-(6-chloro-2,3-dihydro-1H-inden-1-yl)-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 70675084
4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazine-1-sulfinic acid
CID 118638783
4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 70675193
4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[(1S)-1-phenylethyl]-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[(1R)-1-phenylethyl]-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(1-phenylethyl)-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[(1S)-1-phenylpropyl]-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[(1R)-1-phenylpropyl]-1,3,5-triazin-2-amine
CID 160528643
4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(2-methylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 66570855
4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-(4-ethylsulfonylpiperazin-1-yl)-1,3,5-triazin-2-yl]morpholine
CID 54577773

Frequently Asked Questions

What is the IUPAC name of 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(1H-inden-5-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(1H-inden-5-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine (CID 162159231) is 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(1H-inden-5-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(1H-inden-5-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(1H-inden-5-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine is FC(F)c1nc2ccccc2n1-c1nc(Nc2ccc3c(c2)C=CC3)nc(N2CCOCC2)n1.
What is the InChIKey of 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(1H-inden-5-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is ZMGCTHQJVHBCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N7O/c25-20(26)21-28-18-6-1-2-7-19(18)33(21)24-30-22(29-23(31-24)32-10-12-34-13-11-32)27-17-9-8-15-4-3-5-16(15)14-17/h1-3,5-9,14,20H,4,10-13H2,(H,27,29,30,31).
What are the key properties of 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(1H-inden-5-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(1H-inden-5-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 461.48 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(1H-inden-5-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 162159231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).