1-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]-5-(trifluoromethoxy)benzimidazole

C18H15F3N6O — CID 20811938

IUPAC1-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]-5-(trifluoromethoxy)benzimidazole
SMILESCCn1c(Cn2ccnc2-c2ncccn2)nc2cc(OC(F)(F)F)ccc21
InChIInChI=1S/C18H15F3N6O/c1-2-27-14-5-4-12(28-18(19,20)21)10-13(14)25-15(27)11-26-9-8-24-17(26)16-22-6-3-7-23-16/h3-10H,2,11H2,1H3
InChIKeyBKHVUBUZBCWOLK-UHFFFAOYSA-N
MW388.35 g/mol
LogP3.66
Rot. Bonds5

About 1-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]-5-(trifluoromethoxy)benzimidazole

1-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]-5-(trifluoromethoxy)benzimidazole (PubChem CID 20811938) has the molecular formula C18H15F3N6O and a molecular weight of 388.35 g/mol. Its IUPAC name is 1-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]-5-(trifluoromethoxy)benzimidazole.

Molecular Properties

Compound Name1-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]-5-(trifluoromethoxy)benzimidazole
PubChem CID20811938
Molecular FormulaC18H15F3N6O
Molecular Weight388.35 g/mol
Exact Mass388.13
IUPAC Name1-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]-5-(trifluoromethoxy)benzimidazole
SMILESCCn1c(Cn2ccnc2-c2ncccn2)nc2cc(OC(F)(F)F)ccc21
InChIInChI=1S/C18H15F3N6O/c1-2-27-14-5-4-12(28-18(19,20)21)10-13(14)25-15(27)11-26-9-8-24-17(26)16-22-6-3-7-23-16/h3-10H,2,11H2,1H3
InChIKeyBKHVUBUZBCWOLK-UHFFFAOYSA-N
XLogP3.66
TPSA70.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.35
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-ethyl-5-fluoro-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]benzimidazole
CID 22379969
1-ethyl-5-fluoro-2-[(2-phenylimidazol-1-yl)methyl]benzimidazole
CID 91256666
1-ethyl-2-[(2-pyridin-2-ylimidazol-1-yl)methyl]benzimidazole-5-carbonitrile
CID 22380091
1-ethyl-2-[[2-[6-(trifluoromethyl)-2-pyridinyl]imidazol-1-yl]methyl]benzimidazole
CID 70931583
1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-amine
CID 22380200
2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]-1-ethylbenzimidazole-5-carboxylic acid
CID 22380327
3-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[4,5-c]pyridine-4-carbonitrile
CID 22380177
1-ethyl-2-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-6-(trifluoromethyl)benzimidazole
CID 22379935
1-ethyl-2-[[2-(3-methylphenyl)imidazol-1-yl]methyl]benzimidazole-5-carbonitrile
CID 22379915
1-[2-[[2-(6-chloro-2-pyridinyl)imidazol-1-yl]methyl]-1-ethylbenzimidazol-5-yl]-N-methylmethanimine
CID 149144132
2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]-1-ethyl-5-[5-(trifluoromethyl)tetrazol-1-yl]benzimidazole
CID 20811968
5-ethoxy-2-(methoxymethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazole
CID 134126943

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]-5-(trifluoromethoxy)benzimidazole?
The IUPAC name of 1-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]-5-(trifluoromethoxy)benzimidazole (CID 20811938) is 1-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]-5-(trifluoromethoxy)benzimidazole.
What is the SMILES notation for 1-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]-5-(trifluoromethoxy)benzimidazole?
The canonical SMILES for 1-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]-5-(trifluoromethoxy)benzimidazole is CCn1c(Cn2ccnc2-c2ncccn2)nc2cc(OC(F)(F)F)ccc21.
What is the InChIKey of 1-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]-5-(trifluoromethoxy)benzimidazole?
The InChIKey is BKHVUBUZBCWOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N6O/c1-2-27-14-5-4-12(28-18(19,20)21)10-13(14)25-15(27)11-26-9-8-24-17(26)16-22-6-3-7-23-16/h3-10H,2,11H2,1H3.
What are the key properties of 1-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]-5-(trifluoromethoxy)benzimidazole?
1-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]-5-(trifluoromethoxy)benzimidazole has a molecular weight of 388.35 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]-5-(trifluoromethoxy)benzimidazole is sourced from PubChem (CID 20811938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).