[2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)benzimidazol-4-yl]carbamic acid

C20H22F2N8O4 — CID 67547350

IUPAC[2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)benzimidazol-4-yl]carbamic acid
SMILESO=C(O)Nc1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C20H22F2N8O4/c21-15(22)16-24-14-12(23-20(31)32)2-1-3-13(14)30(16)19-26-17(28-4-8-33-9-5-28)25-18(27-19)29-6-10-34-11-7-29/h1-3,15,23H,4-11H2,(H,31,32)
InChIKeyAMZCJURZZJURJN-UHFFFAOYSA-N
MW476.44 g/mol
LogP1.91
Rot. Bonds5

About [2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)benzimidazol-4-yl]carbamic acid

[2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)benzimidazol-4-yl]carbamic acid (PubChem CID 67547350) has the molecular formula C20H22F2N8O4 and a molecular weight of 476.44 g/mol. Its IUPAC name is [2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)benzimidazol-4-yl]carbamic acid.

Molecular Properties

Compound Name[2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)benzimidazol-4-yl]carbamic acid
PubChem CID67547350
Molecular FormulaC20H22F2N8O4
Molecular Weight476.44 g/mol
Exact Mass476.17
IUPAC Name[2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)benzimidazol-4-yl]carbamic acid
SMILESO=C(O)Nc1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C20H22F2N8O4/c21-15(22)16-24-14-12(23-20(31)32)2-1-3-13(14)30(16)19-26-17(28-4-8-33-9-5-28)25-18(27-19)29-6-10-34-11-7-29/h1-3,15,23H,4-11H2,(H,31,32)
InChIKeyAMZCJURZZJURJN-UHFFFAOYSA-N
XLogP1.91
TPSA130.76 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.44
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

[2-[[2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)benzimidazol-4-yl]amino]-2-oxoethyl]carbamic acid
CID 67546952
4-[4-[2-(difluoromethyl)-4-hydroxybenzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazine-1-carboxylic acid
CID 66839544
2-[2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)benzimidazol-4-yl]oxyethanol
CID 67546089
4-[4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-piperidin-1-yl-1,3,5-triazin-2-yl]morpholine
CID 67527929
2-chloro-1-[3-[[4-[2-(difluoromethyl)-4-methylbenzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]azetidin-1-yl]ethanone
CID 58168430
2-chloro-N-[1-[4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperidin-4-yl]propanamide
CID 90763950
2-chloro-N-[(3S)-1-[4-[2-(difluoromethyl)-4-methylbenzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyrrolidin-3-yl]-N-methylacetamide
CID 58168419
3-[2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)benzimidazol-4-yl]oxypropan-1-amine
CID 46917848
tert-butyl N-[1-[4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperidin-4-yl]carbamate
CID 66698068
2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-methoxybenzimidazol-5-ol
CID 56593675
4-[4-chloro-6-[2-(difluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]morpholine
CID 22036872
4-[4-[2-(difluoromethyl)-4,5-dimethoxybenzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
CID 56595685

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)benzimidazol-4-yl]carbamic acid?
The IUPAC name of [2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)benzimidazol-4-yl]carbamic acid (CID 67547350) is [2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)benzimidazol-4-yl]carbamic acid.
What is the SMILES notation for [2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)benzimidazol-4-yl]carbamic acid?
The canonical SMILES for [2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)benzimidazol-4-yl]carbamic acid is O=C(O)Nc1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)nc(N2CCOCC2)n1.
What is the InChIKey of [2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)benzimidazol-4-yl]carbamic acid?
The InChIKey is AMZCJURZZJURJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N8O4/c21-15(22)16-24-14-12(23-20(31)32)2-1-3-13(14)30(16)19-26-17(28-4-8-33-9-5-28)25-18(27-19)29-6-10-34-11-7-29/h1-3,15,23H,4-11H2,(H,31,32).
What are the key properties of [2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)benzimidazol-4-yl]carbamic acid?
[2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)benzimidazol-4-yl]carbamic acid has a molecular weight of 476.44 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)benzimidazol-4-yl]carbamic acid is sourced from PubChem (CID 67547350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).