2-[4-[6-(3-hydroxyphenyl)-1H-benzimidazol-2-yl]-1H-indol-6-yl]benzamide

C28H20N4O2 — CID 71009275

IUPAC2-[4-[6-(3-hydroxyphenyl)-1H-benzimidazol-2-yl]-1H-indol-6-yl]benzamide
SMILESNC(=O)c1ccccc1-c1cc(-c2nc3ccc(-c4cccc(O)c4)cc3[nH]2)c2cc[nH]c2c1
InChIInChI=1S/C28H20N4O2/c29-27(34)22-7-2-1-6-20(22)18-13-23(21-10-11-30-25(21)15-18)28-31-24-9-8-17(14-26(24)32-28)16-4-3-5-19(33)12-16/h1-15,30,33H,(H2,29,34)(H,31,32)
InChIKeyNABQZLRQRVLHSW-UHFFFAOYSA-N
MW444.49 g/mol
LogP5.85
Rot. Bonds4

About 2-[4-[6-(3-hydroxyphenyl)-1H-benzimidazol-2-yl]-1H-indol-6-yl]benzamide

2-[4-[6-(3-hydroxyphenyl)-1H-benzimidazol-2-yl]-1H-indol-6-yl]benzamide (PubChem CID 71009275) has the molecular formula C28H20N4O2 and a molecular weight of 444.49 g/mol. Its IUPAC name is 2-[4-[6-(3-hydroxyphenyl)-1H-benzimidazol-2-yl]-1H-indol-6-yl]benzamide.

Molecular Properties

Compound Name2-[4-[6-(3-hydroxyphenyl)-1H-benzimidazol-2-yl]-1H-indol-6-yl]benzamide
PubChem CID71009275
Molecular FormulaC28H20N4O2
Molecular Weight444.49 g/mol
Exact Mass444.16
IUPAC Name2-[4-[6-(3-hydroxyphenyl)-1H-benzimidazol-2-yl]-1H-indol-6-yl]benzamide
SMILESNC(=O)c1ccccc1-c1cc(-c2nc3ccc(-c4cccc(O)c4)cc3[nH]2)c2cc[nH]c2c1
InChIInChI=1S/C28H20N4O2/c29-27(34)22-7-2-1-6-20(22)18-13-23(21-10-11-30-25(21)15-18)28-31-24-9-8-17(14-26(24)32-28)16-4-3-5-19(33)12-16/h1-15,30,33H,(H2,29,34)(H,31,32)
InChIKeyNABQZLRQRVLHSW-UHFFFAOYSA-N
XLogP5.85
TPSA107.79 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.49
LogP ≤ 55.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-(3-hydroxyphenyl)-1H-benzimidazol-2-yl]-1H-indol-6-yl]benzamide?
The IUPAC name of 2-[4-[6-(3-hydroxyphenyl)-1H-benzimidazol-2-yl]-1H-indol-6-yl]benzamide (CID 71009275) is 2-[4-[6-(3-hydroxyphenyl)-1H-benzimidazol-2-yl]-1H-indol-6-yl]benzamide.
What is the SMILES notation for 2-[4-[6-(3-hydroxyphenyl)-1H-benzimidazol-2-yl]-1H-indol-6-yl]benzamide?
The canonical SMILES for 2-[4-[6-(3-hydroxyphenyl)-1H-benzimidazol-2-yl]-1H-indol-6-yl]benzamide is NC(=O)c1ccccc1-c1cc(-c2nc3ccc(-c4cccc(O)c4)cc3[nH]2)c2cc[nH]c2c1.
What is the InChIKey of 2-[4-[6-(3-hydroxyphenyl)-1H-benzimidazol-2-yl]-1H-indol-6-yl]benzamide?
The InChIKey is NABQZLRQRVLHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N4O2/c29-27(34)22-7-2-1-6-20(22)18-13-23(21-10-11-30-25(21)15-18)28-31-24-9-8-17(14-26(24)32-28)16-4-3-5-19(33)12-16/h1-15,30,33H,(H2,29,34)(H,31,32).
What are the key properties of 2-[4-[6-(3-hydroxyphenyl)-1H-benzimidazol-2-yl]-1H-indol-6-yl]benzamide?
2-[4-[6-(3-hydroxyphenyl)-1H-benzimidazol-2-yl]-1H-indol-6-yl]benzamide has a molecular weight of 444.49 g/mol, XLogP of 5.85, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-(3-hydroxyphenyl)-1H-benzimidazol-2-yl]-1H-indol-6-yl]benzamide is sourced from PubChem (CID 71009275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).