2-(difluoromethyl)-3-(4,6-dimorpholin-4-ylpyrimidin-2-yl)benzimidazol-5-amine

C20H23F2N7O2 — CID 22036899

IUPAC2-(difluoromethyl)-3-(4,6-dimorpholin-4-ylpyrimidin-2-yl)benzimidazol-5-amine
SMILESNc1ccc2nc(C(F)F)n(-c3nc(N4CCOCC4)cc(N4CCOCC4)n3)c2c1
InChIInChI=1S/C20H23F2N7O2/c21-18(22)19-24-14-2-1-13(23)11-15(14)29(19)20-25-16(27-3-7-30-8-4-27)12-17(26-20)28-5-9-31-10-6-28/h1-2,11-12,18H,3-10,23H2
InChIKeyLLHRNYKBWUIXFG-UHFFFAOYSA-N
MW431.45 g/mol
LogP2.01
Rot. Bonds4

About 2-(difluoromethyl)-3-(4,6-dimorpholin-4-ylpyrimidin-2-yl)benzimidazol-5-amine

2-(difluoromethyl)-3-(4,6-dimorpholin-4-ylpyrimidin-2-yl)benzimidazol-5-amine (PubChem CID 22036899) has the molecular formula C20H23F2N7O2 and a molecular weight of 431.45 g/mol. Its IUPAC name is 2-(difluoromethyl)-3-(4,6-dimorpholin-4-ylpyrimidin-2-yl)benzimidazol-5-amine.

Molecular Properties

Compound Name2-(difluoromethyl)-3-(4,6-dimorpholin-4-ylpyrimidin-2-yl)benzimidazol-5-amine
PubChem CID22036899
Molecular FormulaC20H23F2N7O2
Molecular Weight431.45 g/mol
Exact Mass431.19
IUPAC Name2-(difluoromethyl)-3-(4,6-dimorpholin-4-ylpyrimidin-2-yl)benzimidazol-5-amine
SMILESNc1ccc2nc(C(F)F)n(-c3nc(N4CCOCC4)cc(N4CCOCC4)n3)c2c1
InChIInChI=1S/C20H23F2N7O2/c21-18(22)19-24-14-2-1-13(23)11-15(14)29(19)20-25-16(27-3-7-30-8-4-27)12-17(26-20)28-5-9-31-10-6-28/h1-2,11-12,18H,3-10,23H2
InChIKeyLLHRNYKBWUIXFG-UHFFFAOYSA-N
XLogP2.01
TPSA94.56 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.45
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(4-aminophenyl)-[4-[2-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-4-yl]piperazin-1-yl]methanone
CID 24849677
2-[1-[2-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-4-yl]piperidin-4-yl]ethanamine
CID 24766041
1-[4,6-bis(2,6-dimethylmorpholin-4-yl)pyrimidin-2-yl]-2-(difluoromethyl)benzimidazol-5-amine
CID 11955852
4-[2-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-4-yl]-2-fluoroaniline
CID 68864774
(1-aminocyclobutyl)-[4-[2-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-4-yl]piperazin-1-yl]methanone
CID 24849723
(2R)-2-amino-4-[4-[2-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-4-yl]piperazin-1-yl]-4-oxobutanamide
CID 24849722
(3S)-4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]-3-methylmorpholine
CID 90226403
4-[2-[2-(difluoromethyl)benzimidazol-1-yl]-6-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-yl]morpholine
CID 24802682
[2-(difluoromethyl)-1-(4,6-dimorpholin-4-ylpyrimidin-2-yl)benzimidazol-4-yl]oxy-tri(propan-2-yl)silane
CID 56593829
2-(difluoromethyl)-3-[4-(2,2-dimethylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]benzimidazol-5-ol
CID 22036897
4-[4-chloro-6-[2-(difluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]morpholine
CID 22036872
1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-2-(difluoromethyl)benzimidazol-4-ol;yttrium
CID 59595943

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-3-(4,6-dimorpholin-4-ylpyrimidin-2-yl)benzimidazol-5-amine?
The IUPAC name of 2-(difluoromethyl)-3-(4,6-dimorpholin-4-ylpyrimidin-2-yl)benzimidazol-5-amine (CID 22036899) is 2-(difluoromethyl)-3-(4,6-dimorpholin-4-ylpyrimidin-2-yl)benzimidazol-5-amine.
What is the SMILES notation for 2-(difluoromethyl)-3-(4,6-dimorpholin-4-ylpyrimidin-2-yl)benzimidazol-5-amine?
The canonical SMILES for 2-(difluoromethyl)-3-(4,6-dimorpholin-4-ylpyrimidin-2-yl)benzimidazol-5-amine is Nc1ccc2nc(C(F)F)n(-c3nc(N4CCOCC4)cc(N4CCOCC4)n3)c2c1.
What is the InChIKey of 2-(difluoromethyl)-3-(4,6-dimorpholin-4-ylpyrimidin-2-yl)benzimidazol-5-amine?
The InChIKey is LLHRNYKBWUIXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N7O2/c21-18(22)19-24-14-2-1-13(23)11-15(14)29(19)20-25-16(27-3-7-30-8-4-27)12-17(26-20)28-5-9-31-10-6-28/h1-2,11-12,18H,3-10,23H2.
What are the key properties of 2-(difluoromethyl)-3-(4,6-dimorpholin-4-ylpyrimidin-2-yl)benzimidazol-5-amine?
2-(difluoromethyl)-3-(4,6-dimorpholin-4-ylpyrimidin-2-yl)benzimidazol-5-amine has a molecular weight of 431.45 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-3-(4,6-dimorpholin-4-ylpyrimidin-2-yl)benzimidazol-5-amine is sourced from PubChem (CID 22036899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).