4-[6-(4-hydroxyphenyl)-1H-benzimidazol-2-yl]-N-(1H-indol-6-yl)benzamide

C28H20N4O2 — CID 67686908

IUPAC4-[6-(4-hydroxyphenyl)-1H-benzimidazol-2-yl]-N-(1H-indol-6-yl)benzamide
SMILESO=C(Nc1ccc2cc[nH]c2c1)c1ccc(-c2nc3ccc(-c4ccc(O)cc4)cc3[nH]2)cc1
InChIInChI=1S/C28H20N4O2/c33-23-10-6-17(7-11-23)21-8-12-24-26(15-21)32-27(31-24)19-1-3-20(4-2-19)28(34)30-22-9-5-18-13-14-29-25(18)16-22/h1-16,29,33H,(H,30,34)(H,31,32)
InChIKeyHWNMDWHGXWMLNS-UHFFFAOYSA-N
MW444.49 g/mol
LogP6.34
Rot. Bonds4

About 4-[6-(4-hydroxyphenyl)-1H-benzimidazol-2-yl]-N-(1H-indol-6-yl)benzamide

4-[6-(4-hydroxyphenyl)-1H-benzimidazol-2-yl]-N-(1H-indol-6-yl)benzamide (PubChem CID 67686908) has the molecular formula C28H20N4O2 and a molecular weight of 444.49 g/mol. Its IUPAC name is 4-[6-(4-hydroxyphenyl)-1H-benzimidazol-2-yl]-N-(1H-indol-6-yl)benzamide.

Molecular Properties

Compound Name4-[6-(4-hydroxyphenyl)-1H-benzimidazol-2-yl]-N-(1H-indol-6-yl)benzamide
PubChem CID67686908
Molecular FormulaC28H20N4O2
Molecular Weight444.49 g/mol
Exact Mass444.16
IUPAC Name4-[6-(4-hydroxyphenyl)-1H-benzimidazol-2-yl]-N-(1H-indol-6-yl)benzamide
SMILESO=C(Nc1ccc2cc[nH]c2c1)c1ccc(-c2nc3ccc(-c4ccc(O)cc4)cc3[nH]2)cc1
InChIInChI=1S/C28H20N4O2/c33-23-10-6-17(7-11-23)21-8-12-24-26(15-21)32-27(31-24)19-1-3-20(4-2-19)28(34)30-22-9-5-18-13-14-29-25(18)16-22/h1-16,29,33H,(H,30,34)(H,31,32)
InChIKeyHWNMDWHGXWMLNS-UHFFFAOYSA-N
XLogP6.34
TPSA93.80 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.49
LogP ≤ 56.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-hydroxyphenyl)-1H-benzimidazol-2-yl]-N-(1H-indol-6-yl)benzamide?
The IUPAC name of 4-[6-(4-hydroxyphenyl)-1H-benzimidazol-2-yl]-N-(1H-indol-6-yl)benzamide (CID 67686908) is 4-[6-(4-hydroxyphenyl)-1H-benzimidazol-2-yl]-N-(1H-indol-6-yl)benzamide.
What is the SMILES notation for 4-[6-(4-hydroxyphenyl)-1H-benzimidazol-2-yl]-N-(1H-indol-6-yl)benzamide?
The canonical SMILES for 4-[6-(4-hydroxyphenyl)-1H-benzimidazol-2-yl]-N-(1H-indol-6-yl)benzamide is O=C(Nc1ccc2cc[nH]c2c1)c1ccc(-c2nc3ccc(-c4ccc(O)cc4)cc3[nH]2)cc1.
What is the InChIKey of 4-[6-(4-hydroxyphenyl)-1H-benzimidazol-2-yl]-N-(1H-indol-6-yl)benzamide?
The InChIKey is HWNMDWHGXWMLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N4O2/c33-23-10-6-17(7-11-23)21-8-12-24-26(15-21)32-27(31-24)19-1-3-20(4-2-19)28(34)30-22-9-5-18-13-14-29-25(18)16-22/h1-16,29,33H,(H,30,34)(H,31,32).
What are the key properties of 4-[6-(4-hydroxyphenyl)-1H-benzimidazol-2-yl]-N-(1H-indol-6-yl)benzamide?
4-[6-(4-hydroxyphenyl)-1H-benzimidazol-2-yl]-N-(1H-indol-6-yl)benzamide has a molecular weight of 444.49 g/mol, XLogP of 6.34, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-hydroxyphenyl)-1H-benzimidazol-2-yl]-N-(1H-indol-6-yl)benzamide is sourced from PubChem (CID 67686908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).