2-(methoxymethyl)-1-[3-[4-(trifluoromethyl)phenyl]-4H-pyrimidin-2-yl]benzimidazole

C20H17F3N4O — CID 90178083

IUPAC2-(methoxymethyl)-1-[3-[4-(trifluoromethyl)phenyl]-4H-pyrimidin-2-yl]benzimidazole
SMILESCOCc1nc2ccccc2n1C1=NC=CCN1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H17F3N4O/c1-28-13-18-25-16-5-2-3-6-17(16)27(18)19-24-11-4-12-26(19)15-9-7-14(8-10-15)20(21,22)23/h2-11H,12-13H2,1H3
InChIKeyLYPZKVBHBHXIBV-UHFFFAOYSA-N
MW386.38 g/mol
LogP4.44
Rot. Bonds3

About 2-(methoxymethyl)-1-[3-[4-(trifluoromethyl)phenyl]-4H-pyrimidin-2-yl]benzimidazole

2-(methoxymethyl)-1-[3-[4-(trifluoromethyl)phenyl]-4H-pyrimidin-2-yl]benzimidazole (PubChem CID 90178083) has the molecular formula C20H17F3N4O and a molecular weight of 386.38 g/mol. Its IUPAC name is 2-(methoxymethyl)-1-[3-[4-(trifluoromethyl)phenyl]-4H-pyrimidin-2-yl]benzimidazole.

Molecular Properties

Compound Name2-(methoxymethyl)-1-[3-[4-(trifluoromethyl)phenyl]-4H-pyrimidin-2-yl]benzimidazole
PubChem CID90178083
Molecular FormulaC20H17F3N4O
Molecular Weight386.38 g/mol
Exact Mass386.14
IUPAC Name2-(methoxymethyl)-1-[3-[4-(trifluoromethyl)phenyl]-4H-pyrimidin-2-yl]benzimidazole
SMILESCOCc1nc2ccccc2n1C1=NC=CCN1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H17F3N4O/c1-28-13-18-25-16-5-2-3-6-17(16)27(18)19-24-11-4-12-26(19)15-9-7-14(8-10-15)20(21,22)23/h2-11H,12-13H2,1H3
InChIKeyLYPZKVBHBHXIBV-UHFFFAOYSA-N
XLogP4.44
TPSA42.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.38
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[2-(methoxymethyl)-5-(trifluoromethyl)benzimidazol-1-yl]benzoate
CID 58517030
5-fluoro-2-[2-(methoxymethyl)benzimidazol-1-yl]-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine
CID 161274052
5-oxo-1-[[1-[4-[4-(trifluoromethyl)phenoxy]phenyl]benzimidazol-2-yl]methyl]pyrrolidine-2-carboxamide
CID 118061159
2-cyclopropyl-1-[3-[4-(trifluoromethoxy)phenyl]-2H-1,3,5-triazin-4-yl]benzimidazole
CID 118095555
6-chloro-1-[3-[4-(difluoromethoxy)phenyl]-4H-pyrimidin-2-yl]-2-methylbenzimidazole
CID 90178068
2-[2-[1-[4-[4-(trifluoromethyl)phenoxy]phenyl]benzimidazol-2-yl]ethyl]pentanediamide
CID 159629636
1-[3-(2-aminobenzimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzimidazol-2-amine
CID 155032478
2-(methoxymethyl)-1-[(2S)-2-methylbutyl]benzimidazole
CID 975612
[4-[[2-(methoxymethyl)benzimidazol-1-yl]methyl]phenyl]methanamine
CID 82150134
1-[(2-chlorophenyl)methyl]-2-(methoxymethyl)benzimidazole
CID 962448
2-(2-ethylbenzimidazol-1-yl)-5-fluoro-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 74766788
2-(methoxymethyl)-1-(3-methoxypropyl)-5-(trifluoromethyl)benzimidazole
CID 46308515

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-1-[3-[4-(trifluoromethyl)phenyl]-4H-pyrimidin-2-yl]benzimidazole?
The IUPAC name of 2-(methoxymethyl)-1-[3-[4-(trifluoromethyl)phenyl]-4H-pyrimidin-2-yl]benzimidazole (CID 90178083) is 2-(methoxymethyl)-1-[3-[4-(trifluoromethyl)phenyl]-4H-pyrimidin-2-yl]benzimidazole.
What is the SMILES notation for 2-(methoxymethyl)-1-[3-[4-(trifluoromethyl)phenyl]-4H-pyrimidin-2-yl]benzimidazole?
The canonical SMILES for 2-(methoxymethyl)-1-[3-[4-(trifluoromethyl)phenyl]-4H-pyrimidin-2-yl]benzimidazole is COCc1nc2ccccc2n1C1=NC=CCN1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(methoxymethyl)-1-[3-[4-(trifluoromethyl)phenyl]-4H-pyrimidin-2-yl]benzimidazole?
The InChIKey is LYPZKVBHBHXIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O/c1-28-13-18-25-16-5-2-3-6-17(16)27(18)19-24-11-4-12-26(19)15-9-7-14(8-10-15)20(21,22)23/h2-11H,12-13H2,1H3.
What are the key properties of 2-(methoxymethyl)-1-[3-[4-(trifluoromethyl)phenyl]-4H-pyrimidin-2-yl]benzimidazole?
2-(methoxymethyl)-1-[3-[4-(trifluoromethyl)phenyl]-4H-pyrimidin-2-yl]benzimidazole has a molecular weight of 386.38 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-1-[3-[4-(trifluoromethyl)phenyl]-4H-pyrimidin-2-yl]benzimidazole is sourced from PubChem (CID 90178083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).