2-(4-dibenzofuran-4-yl-2,2,5,5-tetramethyl-1H-pyrrol-3-yl)-1H-benzimidazole-4-carboxamide

C28H26N4O2 — CID 25259503

IUPAC2-(4-dibenzofuran-4-yl-2,2,5,5-tetramethyl-1H-pyrrol-3-yl)-1H-benzimidazole-4-carboxamide
SMILESCC1(C)NC(C)(C)C(c2cccc3c2oc2ccccc23)=C1c1nc2c(C(N)=O)cccc2[nH]1
InChIInChI=1S/C28H26N4O2/c1-27(2)21(17-11-7-10-16-15-9-5-6-14-20(15)34-24(16)17)22(28(3,4)32-27)26-30-19-13-8-12-18(25(29)33)23(19)31-26/h5-14,32H,1-4H3,(H2,29,33)(H,30,31)
InChIKeyWVESEXLUPJDWFX-UHFFFAOYSA-N
MW450.54 g/mol
LogP5.63
Rot. Bonds3

About 2-(4-dibenzofuran-4-yl-2,2,5,5-tetramethyl-1H-pyrrol-3-yl)-1H-benzimidazole-4-carboxamide

2-(4-dibenzofuran-4-yl-2,2,5,5-tetramethyl-1H-pyrrol-3-yl)-1H-benzimidazole-4-carboxamide (PubChem CID 25259503) has the molecular formula C28H26N4O2 and a molecular weight of 450.54 g/mol. Its IUPAC name is 2-(4-dibenzofuran-4-yl-2,2,5,5-tetramethyl-1H-pyrrol-3-yl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-dibenzofuran-4-yl-2,2,5,5-tetramethyl-1H-pyrrol-3-yl)-1H-benzimidazole-4-carboxamide
PubChem CID25259503
Molecular FormulaC28H26N4O2
Molecular Weight450.54 g/mol
Exact Mass450.21
IUPAC Name2-(4-dibenzofuran-4-yl-2,2,5,5-tetramethyl-1H-pyrrol-3-yl)-1H-benzimidazole-4-carboxamide
SMILESCC1(C)NC(C)(C)C(c2cccc3c2oc2ccccc23)=C1c1nc2c(C(N)=O)cccc2[nH]1
InChIInChI=1S/C28H26N4O2/c1-27(2)21(17-11-7-10-16-15-9-5-6-14-20(15)34-24(16)17)22(28(3,4)32-27)26-30-19-13-8-12-18(25(29)33)23(19)31-26/h5-14,32H,1-4H3,(H2,29,33)(H,30,31)
InChIKeyWVESEXLUPJDWFX-UHFFFAOYSA-N
XLogP5.63
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.54
LogP ≤ 55.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-dibenzofuran-4-yl-2,2,5,5-tetramethyl-1H-pyrrol-3-yl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-(4-dibenzofuran-4-yl-2,2,5,5-tetramethyl-1H-pyrrol-3-yl)-1H-benzimidazole-4-carboxamide (CID 25259503) is 2-(4-dibenzofuran-4-yl-2,2,5,5-tetramethyl-1H-pyrrol-3-yl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-(4-dibenzofuran-4-yl-2,2,5,5-tetramethyl-1H-pyrrol-3-yl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-(4-dibenzofuran-4-yl-2,2,5,5-tetramethyl-1H-pyrrol-3-yl)-1H-benzimidazole-4-carboxamide is CC1(C)NC(C)(C)C(c2cccc3c2oc2ccccc23)=C1c1nc2c(C(N)=O)cccc2[nH]1.
What is the InChIKey of 2-(4-dibenzofuran-4-yl-2,2,5,5-tetramethyl-1H-pyrrol-3-yl)-1H-benzimidazole-4-carboxamide?
The InChIKey is WVESEXLUPJDWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O2/c1-27(2)21(17-11-7-10-16-15-9-5-6-14-20(15)34-24(16)17)22(28(3,4)32-27)26-30-19-13-8-12-18(25(29)33)23(19)31-26/h5-14,32H,1-4H3,(H2,29,33)(H,30,31).
What are the key properties of 2-(4-dibenzofuran-4-yl-2,2,5,5-tetramethyl-1H-pyrrol-3-yl)-1H-benzimidazole-4-carboxamide?
2-(4-dibenzofuran-4-yl-2,2,5,5-tetramethyl-1H-pyrrol-3-yl)-1H-benzimidazole-4-carboxamide has a molecular weight of 450.54 g/mol, XLogP of 5.63, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-dibenzofuran-4-yl-2,2,5,5-tetramethyl-1H-pyrrol-3-yl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 25259503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).