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

C24H22ClF2N7O — CID 70675084

IUPACN-(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
SMILESFC(F)c1nc2ccccc2n1-c1nc(NC2CCc3ccc(Cl)cc32)nc(N2CCOCC2)n1
InChIInChI=1S/C24H22ClF2N7O/c25-15-7-5-14-6-8-17(16(14)13-15)29-22-30-23(33-9-11-35-12-10-33)32-24(31-22)34-19-4-2-1-3-18(19)28-21(34)20(26)27/h1-5,7,13,17,20H,6,8-12H2,(H,29,30,31,32)
InChIKeyPDTUIUPRHLOHJK-UHFFFAOYSA-N
MW497.94 g/mol
LogP4.74
Rot. Bonds5

About 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

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 (PubChem CID 70675084) has the molecular formula C24H22ClF2N7O and a molecular weight of 497.94 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID70675084
Molecular FormulaC24H22ClF2N7O
Molecular Weight497.94 g/mol
Exact Mass497.15
IUPAC NameN-(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
SMILESFC(F)c1nc2ccccc2n1-c1nc(NC2CCc3ccc(Cl)cc32)nc(N2CCOCC2)n1
InChIInChI=1S/C24H22ClF2N7O/c25-15-7-5-14-6-8-17(16(14)13-15)29-22-30-23(33-9-11-35-12-10-33)32-24(31-22)34-19-4-2-1-3-18(19)28-21(34)20(26)27/h1-5,7,13,17,20H,6,8-12H2,(H,29,30,31,32)
InChIKeyPDTUIUPRHLOHJK-UHFFFAOYSA-N
XLogP4.74
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.94
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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-[4-chloro-6-[2-(difluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]morpholine
CID 22036872
N-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-3H-indol-6-amine
CID 158621311
4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(1H-inden-5-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 162159231
1-[4-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]cyclohexyl]butan-2-one
CID 159700704
1-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-N-[2-(trifluoromethyl)phenyl]piperidin-4-amine
CID 121354718
1-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperidin-3-amine
CID 134147858
N-[4-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]cyclohexyl]-2-methoxyacetamide
CID 67980102
3-[3-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]azetidine-1-carbonyl]cyclohexan-1-one
CID 149464802
1-[4-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]cyclohexyl]-3-pyrrolidin-1-ylpropan-2-one
CID 161486329
4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(2-piperidin-4-ylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 66571372
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is FC(F)c1nc2ccccc2n1-c1nc(NC2CCc3ccc(Cl)cc32)nc(N2CCOCC2)n1.
What is the InChIKey of 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?
The InChIKey is PDTUIUPRHLOHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClF2N7O/c25-15-7-5-14-6-8-17(16(14)13-15)29-22-30-23(33-9-11-35-12-10-33)32-24(31-22)34-19-4-2-1-3-18(19)28-21(34)20(26)27/h1-5,7,13,17,20H,6,8-12H2,(H,29,30,31,32).
What are the key properties of 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?
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 has a molecular weight of 497.94 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 70675084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).