1H-benzimidazol-2-yl-[4-[3-(2,2,2-trifluoroethoxy)pyrazin-2-yl]oxyphenyl]methanone

C20H13F3N4O3 — CID 59351281

IUPAC1H-benzimidazol-2-yl-[4-[3-(2,2,2-trifluoroethoxy)pyrazin-2-yl]oxyphenyl]methanone
SMILESO=C(c1ccc(Oc2nccnc2OCC(F)(F)F)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C20H13F3N4O3/c21-20(22,23)11-29-18-19(25-10-9-24-18)30-13-7-5-12(6-8-13)16(28)17-26-14-3-1-2-4-15(14)27-17/h1-10H,11H2,(H,26,27)
InChIKeySZFIMBCKCJWNGK-UHFFFAOYSA-N
MW414.34 g/mol
LogP4.32
Rot. Bonds6

About 1H-benzimidazol-2-yl-[4-[3-(2,2,2-trifluoroethoxy)pyrazin-2-yl]oxyphenyl]methanone

1H-benzimidazol-2-yl-[4-[3-(2,2,2-trifluoroethoxy)pyrazin-2-yl]oxyphenyl]methanone (PubChem CID 59351281) has the molecular formula C20H13F3N4O3 and a molecular weight of 414.34 g/mol. Its IUPAC name is 1H-benzimidazol-2-yl-[4-[3-(2,2,2-trifluoroethoxy)pyrazin-2-yl]oxyphenyl]methanone.

Molecular Properties

Compound Name1H-benzimidazol-2-yl-[4-[3-(2,2,2-trifluoroethoxy)pyrazin-2-yl]oxyphenyl]methanone
PubChem CID59351281
Molecular FormulaC20H13F3N4O3
Molecular Weight414.34 g/mol
Exact Mass414.09
IUPAC Name1H-benzimidazol-2-yl-[4-[3-(2,2,2-trifluoroethoxy)pyrazin-2-yl]oxyphenyl]methanone
SMILESO=C(c1ccc(Oc2nccnc2OCC(F)(F)F)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C20H13F3N4O3/c21-20(22,23)11-29-18-19(25-10-9-24-18)30-13-7-5-12(6-8-13)16(28)17-26-14-3-1-2-4-15(14)27-17/h1-10H,11H2,(H,26,27)
InChIKeySZFIMBCKCJWNGK-UHFFFAOYSA-N
XLogP4.32
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.34
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1H-benzimidazol-2-yl-[4-(3-pyridin-4-ylpyrazin-2-yl)oxyphenyl]methanone;molecular hydrogen
CID 143998309
1H-benzimidazol-2-yl-[4-[[3-(2-fluoro-3-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone
CID 59326971
3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-(2-hydroxyethyl)pyrazine-2-carboxamide
CID 46207821
[4-(1H-benzimidazole-2-carbonyl)phenyl]-(1H-benzimidazol-2-yl)methanone
CID 70019507
1H-benzimidazol-2-yl-[4-[[3-(3-methoxy-2-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone
CID 59326938
1H-benzimidazol-2-yl-(4-phenylmethoxyphenyl)methanone
CID 13162273
1H-benzimidazol-2-yl-[4-[[3-(cyclopenten-1-yl)-2-pyridinyl]oxy]phenyl]methanone
CID 59327036
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CID 71080373
1-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]pyrrolidine-3-carboxylic acid
CID 68608455
1H-benzimidazol-2-yl-[4-[3-(4-methylcyclohexen-1-yl)pyrazin-2-yl]oxyphenyl]methanone
CID 91084844
1H-benzimidazol-2-yl-[4-[(3-octan-3-yl-2-pyridinyl)oxy]phenyl]methanone
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Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-yl-[4-[3-(2,2,2-trifluoroethoxy)pyrazin-2-yl]oxyphenyl]methanone?
The IUPAC name of 1H-benzimidazol-2-yl-[4-[3-(2,2,2-trifluoroethoxy)pyrazin-2-yl]oxyphenyl]methanone (CID 59351281) is 1H-benzimidazol-2-yl-[4-[3-(2,2,2-trifluoroethoxy)pyrazin-2-yl]oxyphenyl]methanone.
What is the SMILES notation for 1H-benzimidazol-2-yl-[4-[3-(2,2,2-trifluoroethoxy)pyrazin-2-yl]oxyphenyl]methanone?
The canonical SMILES for 1H-benzimidazol-2-yl-[4-[3-(2,2,2-trifluoroethoxy)pyrazin-2-yl]oxyphenyl]methanone is O=C(c1ccc(Oc2nccnc2OCC(F)(F)F)cc1)c1nc2ccccc2[nH]1.
What is the InChIKey of 1H-benzimidazol-2-yl-[4-[3-(2,2,2-trifluoroethoxy)pyrazin-2-yl]oxyphenyl]methanone?
The InChIKey is SZFIMBCKCJWNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N4O3/c21-20(22,23)11-29-18-19(25-10-9-24-18)30-13-7-5-12(6-8-13)16(28)17-26-14-3-1-2-4-15(14)27-17/h1-10H,11H2,(H,26,27).
What are the key properties of 1H-benzimidazol-2-yl-[4-[3-(2,2,2-trifluoroethoxy)pyrazin-2-yl]oxyphenyl]methanone?
1H-benzimidazol-2-yl-[4-[3-(2,2,2-trifluoroethoxy)pyrazin-2-yl]oxyphenyl]methanone has a molecular weight of 414.34 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazol-2-yl-[4-[3-(2,2,2-trifluoroethoxy)pyrazin-2-yl]oxyphenyl]methanone is sourced from PubChem (CID 59351281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).