1H-benzimidazol-2-yl-[4-[3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrazin-2-yl]oxyphenyl]methanone

C24H19N7O2 — CID 59351138

IUPAC1H-benzimidazol-2-yl-[4-[3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrazin-2-yl]oxyphenyl]methanone
SMILESO=C(c1ccc(Oc2nccnc2N2CCc3nc[nH]c3C2)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C24H19N7O2/c32-21(22-29-18-3-1-2-4-19(18)30-22)15-5-7-16(8-6-15)33-24-23(25-10-11-26-24)31-12-9-17-20(13-31)28-14-27-17/h1-8,10-11,14H,9,12-13H2,(H,27,28)(H,29,30)
InChIKeyJGLJRVWZCSNEDY-UHFFFAOYSA-N
MW437.46 g/mol
LogP3.66
Rot. Bonds5

About 1H-benzimidazol-2-yl-[4-[3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrazin-2-yl]oxyphenyl]methanone

1H-benzimidazol-2-yl-[4-[3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrazin-2-yl]oxyphenyl]methanone (PubChem CID 59351138) has the molecular formula C24H19N7O2 and a molecular weight of 437.46 g/mol. Its IUPAC name is 1H-benzimidazol-2-yl-[4-[3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrazin-2-yl]oxyphenyl]methanone.

Molecular Properties

Compound Name1H-benzimidazol-2-yl-[4-[3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrazin-2-yl]oxyphenyl]methanone
PubChem CID59351138
Molecular FormulaC24H19N7O2
Molecular Weight437.46 g/mol
Exact Mass437.16
IUPAC Name1H-benzimidazol-2-yl-[4-[3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrazin-2-yl]oxyphenyl]methanone
SMILESO=C(c1ccc(Oc2nccnc2N2CCc3nc[nH]c3C2)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C24H19N7O2/c32-21(22-29-18-3-1-2-4-19(18)30-22)15-5-7-16(8-6-15)33-24-23(25-10-11-26-24)31-12-9-17-20(13-31)28-14-27-17/h1-8,10-11,14H,9,12-13H2,(H,27,28)(H,29,30)
InChIKeyJGLJRVWZCSNEDY-UHFFFAOYSA-N
XLogP3.66
TPSA112.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.46
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-yl-[4-[3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrazin-2-yl]oxyphenyl]methanone?
The IUPAC name of 1H-benzimidazol-2-yl-[4-[3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrazin-2-yl]oxyphenyl]methanone (CID 59351138) is 1H-benzimidazol-2-yl-[4-[3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrazin-2-yl]oxyphenyl]methanone.
What is the SMILES notation for 1H-benzimidazol-2-yl-[4-[3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrazin-2-yl]oxyphenyl]methanone?
The canonical SMILES for 1H-benzimidazol-2-yl-[4-[3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrazin-2-yl]oxyphenyl]methanone is O=C(c1ccc(Oc2nccnc2N2CCc3nc[nH]c3C2)cc1)c1nc2ccccc2[nH]1.
What is the InChIKey of 1H-benzimidazol-2-yl-[4-[3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrazin-2-yl]oxyphenyl]methanone?
The InChIKey is JGLJRVWZCSNEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N7O2/c32-21(22-29-18-3-1-2-4-19(18)30-22)15-5-7-16(8-6-15)33-24-23(25-10-11-26-24)31-12-9-17-20(13-31)28-14-27-17/h1-8,10-11,14H,9,12-13H2,(H,27,28)(H,29,30).
What are the key properties of 1H-benzimidazol-2-yl-[4-[3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrazin-2-yl]oxyphenyl]methanone?
1H-benzimidazol-2-yl-[4-[3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrazin-2-yl]oxyphenyl]methanone has a molecular weight of 437.46 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazol-2-yl-[4-[3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrazin-2-yl]oxyphenyl]methanone is sourced from PubChem (CID 59351138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).