1H-benzimidazol-2-yl-[4-[3-[2-(trifluoromethyl)-4-pyridinyl]pyrazin-2-yl]oxyphenyl]methanone

C24H14F3N5O2 — CID 46207696

IUPAC1H-benzimidazol-2-yl-[4-[3-[2-(trifluoromethyl)-4-pyridinyl]pyrazin-2-yl]oxyphenyl]methanone
SMILESO=C(c1ccc(Oc2nccnc2-c2ccnc(C(F)(F)F)c2)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C24H14F3N5O2/c25-24(26,27)19-13-15(9-10-28-19)20-23(30-12-11-29-20)34-16-7-5-14(6-8-16)21(33)22-31-17-3-1-2-4-18(17)32-22/h1-13H,(H,31,32)
InChIKeyBKUZKFYKHUKHQD-UHFFFAOYSA-N
MW461.40 g/mol
LogP5.46
Rot. Bonds5

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

1H-benzimidazol-2-yl-[4-[3-[2-(trifluoromethyl)-4-pyridinyl]pyrazin-2-yl]oxyphenyl]methanone (PubChem CID 46207696) has the molecular formula C24H14F3N5O2 and a molecular weight of 461.40 g/mol. Its IUPAC name is 1H-benzimidazol-2-yl-[4-[3-[2-(trifluoromethyl)-4-pyridinyl]pyrazin-2-yl]oxyphenyl]methanone.

Molecular Properties

Compound Name1H-benzimidazol-2-yl-[4-[3-[2-(trifluoromethyl)-4-pyridinyl]pyrazin-2-yl]oxyphenyl]methanone
PubChem CID46207696
Molecular FormulaC24H14F3N5O2
Molecular Weight461.40 g/mol
Exact Mass461.11
IUPAC Name1H-benzimidazol-2-yl-[4-[3-[2-(trifluoromethyl)-4-pyridinyl]pyrazin-2-yl]oxyphenyl]methanone
SMILESO=C(c1ccc(Oc2nccnc2-c2ccnc(C(F)(F)F)c2)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C24H14F3N5O2/c25-24(26,27)19-13-15(9-10-28-19)20-23(30-12-11-29-20)34-16-7-5-14(6-8-16)21(33)22-31-17-3-1-2-4-18(17)32-22/h1-13H,(H,31,32)
InChIKeyBKUZKFYKHUKHQD-UHFFFAOYSA-N
XLogP5.46
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.40
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-yl-[4-[3-[2-(trifluoromethyl)-4-pyridinyl]pyrazin-2-yl]oxyphenyl]methanone?
The IUPAC name of 1H-benzimidazol-2-yl-[4-[3-[2-(trifluoromethyl)-4-pyridinyl]pyrazin-2-yl]oxyphenyl]methanone (CID 46207696) is 1H-benzimidazol-2-yl-[4-[3-[2-(trifluoromethyl)-4-pyridinyl]pyrazin-2-yl]oxyphenyl]methanone.
What is the SMILES notation for 1H-benzimidazol-2-yl-[4-[3-[2-(trifluoromethyl)-4-pyridinyl]pyrazin-2-yl]oxyphenyl]methanone?
The canonical SMILES for 1H-benzimidazol-2-yl-[4-[3-[2-(trifluoromethyl)-4-pyridinyl]pyrazin-2-yl]oxyphenyl]methanone is O=C(c1ccc(Oc2nccnc2-c2ccnc(C(F)(F)F)c2)cc1)c1nc2ccccc2[nH]1.
What is the InChIKey of 1H-benzimidazol-2-yl-[4-[3-[2-(trifluoromethyl)-4-pyridinyl]pyrazin-2-yl]oxyphenyl]methanone?
The InChIKey is BKUZKFYKHUKHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14F3N5O2/c25-24(26,27)19-13-15(9-10-28-19)20-23(30-12-11-29-20)34-16-7-5-14(6-8-16)21(33)22-31-17-3-1-2-4-18(17)32-22/h1-13H,(H,31,32).
What are the key properties of 1H-benzimidazol-2-yl-[4-[3-[2-(trifluoromethyl)-4-pyridinyl]pyrazin-2-yl]oxyphenyl]methanone?
1H-benzimidazol-2-yl-[4-[3-[2-(trifluoromethyl)-4-pyridinyl]pyrazin-2-yl]oxyphenyl]methanone has a molecular weight of 461.40 g/mol, XLogP of 5.46, 5 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-(trifluoromethyl)-4-pyridinyl]pyrazin-2-yl]oxyphenyl]methanone is sourced from PubChem (CID 46207696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).