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

C25H25F2N7O2 — CID 70675193

IUPAC4-[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
SMILESCOc1ccc2c(c1)C(Nc1nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n1)CC2
InChIInChI=1S/C25H25F2N7O2/c1-35-16-8-6-15-7-9-18(17(15)14-16)29-23-30-24(33-10-12-36-13-11-33)32-25(31-23)34-20-5-3-2-4-19(20)28-22(34)21(26)27/h2-6,8,14,18,21H,7,9-13H2,1H3,(H,29,30,31,32)
InChIKeyIPFYPURQYRAFIP-UHFFFAOYSA-N
MW493.52 g/mol
LogP4.09
Rot. Bonds6

About 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

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 (PubChem CID 70675193) has the molecular formula C25H25F2N7O2 and a molecular weight of 493.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID70675193
Molecular FormulaC25H25F2N7O2
Molecular Weight493.52 g/mol
Exact Mass493.20
IUPAC Name4-[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
SMILESCOc1ccc2c(c1)C(Nc1nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n1)CC2
InChIInChI=1S/C25H25F2N7O2/c1-35-16-8-6-15-7-9-18(17(15)14-16)29-23-30-24(33-10-12-36-13-11-33)32-25(31-23)34-20-5-3-2-4-19(20)28-22(34)21(26)27/h2-6,8,14,18,21H,7,9-13H2,1H3,(H,29,30,31,32)
InChIKeyIPFYPURQYRAFIP-UHFFFAOYSA-N
XLogP4.09
TPSA90.22 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.52
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

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
N-[4-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]cyclohexyl]-2-methoxyacetamide
CID 67980102
4-[4-chloro-6-[2-(difluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]morpholine
CID 22036872
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
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
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-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-N-[2-(trifluoromethyl)phenyl]piperidin-4-amine
CID 121354718
(2R,3S)-4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2,3-dimethylmorpholine
CID 42613855
1-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperidin-3-amine
CID 134147858
1-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-2-yl-1,3,5-triazin-2-yl]-N-(4-methoxyphenyl)piperidin-4-amine
CID 175071058
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc2c(c1)C(Nc1nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n1)CC2.
What is the InChIKey of 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?
The InChIKey is IPFYPURQYRAFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N7O2/c1-35-16-8-6-15-7-9-18(17(15)14-16)29-23-30-24(33-10-12-36-13-11-33)32-25(31-23)34-20-5-3-2-4-19(20)28-22(34)21(26)27/h2-6,8,14,18,21H,7,9-13H2,1H3,(H,29,30,31,32).
What are the key properties of 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?
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 has a molecular weight of 493.52 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 70675193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).