4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(3-methoxyphenyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine

C32H33F2N7O2 — CID 66571311

IUPAC4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(3-methoxyphenyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCOc1cccc(-c2ccccc2CC(C)(C)Nc2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)c1
InChIInChI=1S/C32H33F2N7O2/c1-32(2,20-22-9-4-5-12-24(22)21-10-8-11-23(19-21)42-3)39-29-36-30(40-15-17-43-18-16-40)38-31(37-29)41-26-14-7-6-13-25(26)35-28(41)27(33)34/h4-14,19,27H,15-18,20H2,1-3H3,(H,36,37,38,39)
InChIKeyYAIVEOVERIRKFY-UHFFFAOYSA-N
MW585.66 g/mol
LogP6.09
Rot. Bonds9

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

4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(3-methoxyphenyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 66571311) has the molecular formula C32H33F2N7O2 and a molecular weight of 585.66 g/mol. Its IUPAC name is 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(3-methoxyphenyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(3-methoxyphenyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID66571311
Molecular FormulaC32H33F2N7O2
Molecular Weight585.66 g/mol
Exact Mass585.27
IUPAC Name4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(3-methoxyphenyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCOc1cccc(-c2ccccc2CC(C)(C)Nc2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)c1
InChIInChI=1S/C32H33F2N7O2/c1-32(2,20-22-9-4-5-12-24(22)21-10-8-11-23(19-21)42-3)39-29-36-30(40-15-17-43-18-16-40)38-31(37-29)41-26-14-7-6-13-25(26)35-28(41)27(33)34/h4-14,19,27H,15-18,20H2,1-3H3,(H,36,37,38,39)
InChIKeyYAIVEOVERIRKFY-UHFFFAOYSA-N
XLogP6.09
TPSA90.22 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.66
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(3-methoxyphenyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine with MolForge

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Related Compounds

Astemizole
CID 2247
Purmorphamine
CID 5284329
Ly-2623091
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4-[2-Methyl-3-(2-phenoxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
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4-[2-methyl-3-[(2~{R})-2-phenoxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135335801
[5-[(E)-(3,8-difluoro-6H-benzo[c][1]benzoxepin-11-ylidene)methyl]-1-[(2R)-1-morpholin-4-ylpropan-2-yl]benzimidazol-2-yl]cyanamide
CID 57748780
[5-[(E)-(3-fluoro-6H-benzo[c][1]benzoxepin-11-ylidene)methyl]-1-[(2R)-1-morpholin-4-ylpropan-2-yl]benzimidazol-2-yl]cyanamide
CID 57748781
(4-Methoxy-benzyl)-[1-(2-morpholin-4-yl-ethyl)-1H-benzoimidazol-2-yl]-amine
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N-(4-methoxyphenyl)-N-({1-[2-(2-methylphenoxy)ethyl]-1H-benzimidazol-2-yl}methyl)amine
CID 7006385
N-(3-(1-(3-(1-(3-(trifluoromethoxy)benzyl)-1H-benzo[d]imidazol-2-ylamino)propyl)piperidin-4-yl)phenyl)acetamide
CID 11592199
N-(3-(1-(3-(1-(3-methoxybenzyl)-1H-benzo[d]imidazol-2-ylamino)propyl)piperidin-4-yl)phenyl)acetamide
CID 11691995
2-(2-Methoxyphenyl)-1-{3-[4-(3-acetylaminophenyl)piperidin-1-yl]propyl}-1h-benzimidazole
CID 25116306

Frequently Asked Questions

What is the IUPAC name of 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(3-methoxyphenyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(3-methoxyphenyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine (CID 66571311) is 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(3-methoxyphenyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(3-methoxyphenyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(3-methoxyphenyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine is COc1cccc(-c2ccccc2CC(C)(C)Nc2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)c1.
What is the InChIKey of 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(3-methoxyphenyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is YAIVEOVERIRKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33F2N7O2/c1-32(2,20-22-9-4-5-12-24(22)21-10-8-11-23(19-21)42-3)39-29-36-30(40-15-17-43-18-16-40)38-31(37-29)41-26-14-7-6-13-25(26)35-28(41)27(33)34/h4-14,19,27H,15-18,20H2,1-3H3,(H,36,37,38,39).
What are the key properties of 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(3-methoxyphenyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(3-methoxyphenyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 585.66 g/mol, XLogP of 6.09, 9 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-[1-[2-(3-methoxyphenyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 66571311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).