4-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]benzoic acid

C25H16N4O4 — CID 59351357

IUPAC4-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2nccnc2Oc2ccc(C(=O)c3nc4ccccc4[nH]3)cc2)cc1
InChIInChI=1S/C25H16N4O4/c30-22(23-28-19-3-1-2-4-20(19)29-23)16-9-11-18(12-10-16)33-24-21(26-13-14-27-24)15-5-7-17(8-6-15)25(31)32/h1-14H,(H,28,29)(H,31,32)
InChIKeyZXQSIZFCBGTLEV-UHFFFAOYSA-N
MW436.43 g/mol
LogP4.74
Rot. Bonds6

About 4-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]benzoic acid

4-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]benzoic acid (PubChem CID 59351357) has the molecular formula C25H16N4O4 and a molecular weight of 436.43 g/mol. Its IUPAC name is 4-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]benzoic acid.

Molecular Properties

Compound Name4-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]benzoic acid
PubChem CID59351357
Molecular FormulaC25H16N4O4
Molecular Weight436.43 g/mol
Exact Mass436.12
IUPAC Name4-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2nccnc2Oc2ccc(C(=O)c3nc4ccccc4[nH]3)cc2)cc1
InChIInChI=1S/C25H16N4O4/c30-22(23-28-19-3-1-2-4-20(19)29-23)16-9-11-18(12-10-16)33-24-21(26-13-14-27-24)15-5-7-17(8-6-15)25(31)32/h1-14H,(H,28,29)(H,31,32)
InChIKeyZXQSIZFCBGTLEV-UHFFFAOYSA-N
XLogP4.74
TPSA118.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.43
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]benzoic acid?
The IUPAC name of 4-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]benzoic acid (CID 59351357) is 4-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]benzoic acid.
What is the SMILES notation for 4-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]benzoic acid?
The canonical SMILES for 4-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]benzoic acid is O=C(O)c1ccc(-c2nccnc2Oc2ccc(C(=O)c3nc4ccccc4[nH]3)cc2)cc1.
What is the InChIKey of 4-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]benzoic acid?
The InChIKey is ZXQSIZFCBGTLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16N4O4/c30-22(23-28-19-3-1-2-4-20(19)29-23)16-9-11-18(12-10-16)33-24-21(26-13-14-27-24)15-5-7-17(8-6-15)25(31)32/h1-14H,(H,28,29)(H,31,32).
What are the key properties of 4-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]benzoic acid?
4-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]benzoic acid has a molecular weight of 436.43 g/mol, XLogP of 4.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]benzoic acid is sourced from PubChem (CID 59351357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).