2-(1-benzofuran-2-yl)-N-tert-butyl-2-[2-(4-phenylphenyl)benzimidazol-1-yl]acetamide

C33H29N3O2 — CID 53383229

IUPAC2-(1-benzofuran-2-yl)-N-tert-butyl-2-[2-(4-phenylphenyl)benzimidazol-1-yl]acetamide
SMILESCC(C)(C)NC(=O)C(c1cc2ccccc2o1)n1c(-c2ccc(-c3ccccc3)cc2)nc2ccccc21
InChIInChI=1S/C33H29N3O2/c1-33(2,3)35-32(37)30(29-21-25-13-7-10-16-28(25)38-29)36-27-15-9-8-14-26(27)34-31(36)24-19-17-23(18-20-24)22-11-5-4-6-12-22/h4-21,30H,1-3H3,(H,35,37)
InChIKeyTZZMXEBNOJXGSI-UHFFFAOYSA-N
MW499.61 g/mol
LogP7.62
Rot. Bonds5

About 2-(1-benzofuran-2-yl)-N-tert-butyl-2-[2-(4-phenylphenyl)benzimidazol-1-yl]acetamide

2-(1-benzofuran-2-yl)-N-tert-butyl-2-[2-(4-phenylphenyl)benzimidazol-1-yl]acetamide (PubChem CID 53383229) has the molecular formula C33H29N3O2 and a molecular weight of 499.61 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-N-tert-butyl-2-[2-(4-phenylphenyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-N-tert-butyl-2-[2-(4-phenylphenyl)benzimidazol-1-yl]acetamide
PubChem CID53383229
Molecular FormulaC33H29N3O2
Molecular Weight499.61 g/mol
Exact Mass499.23
IUPAC Name2-(1-benzofuran-2-yl)-N-tert-butyl-2-[2-(4-phenylphenyl)benzimidazol-1-yl]acetamide
SMILESCC(C)(C)NC(=O)C(c1cc2ccccc2o1)n1c(-c2ccc(-c3ccccc3)cc2)nc2ccccc21
InChIInChI=1S/C33H29N3O2/c1-33(2,3)35-32(37)30(29-21-25-13-7-10-16-28(25)38-29)36-27-15-9-8-14-26(27)34-31(36)24-19-17-23(18-20-24)22-11-5-4-6-12-22/h4-21,30H,1-3H3,(H,35,37)
InChIKeyTZZMXEBNOJXGSI-UHFFFAOYSA-N
XLogP7.62
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.61
LogP ≤ 57.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-N-tert-butyl-2-[2-(4-phenylphenyl)benzimidazol-1-yl]acetamide?
The IUPAC name of 2-(1-benzofuran-2-yl)-N-tert-butyl-2-[2-(4-phenylphenyl)benzimidazol-1-yl]acetamide (CID 53383229) is 2-(1-benzofuran-2-yl)-N-tert-butyl-2-[2-(4-phenylphenyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-N-tert-butyl-2-[2-(4-phenylphenyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for 2-(1-benzofuran-2-yl)-N-tert-butyl-2-[2-(4-phenylphenyl)benzimidazol-1-yl]acetamide is CC(C)(C)NC(=O)C(c1cc2ccccc2o1)n1c(-c2ccc(-c3ccccc3)cc2)nc2ccccc21.
What is the InChIKey of 2-(1-benzofuran-2-yl)-N-tert-butyl-2-[2-(4-phenylphenyl)benzimidazol-1-yl]acetamide?
The InChIKey is TZZMXEBNOJXGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29N3O2/c1-33(2,3)35-32(37)30(29-21-25-13-7-10-16-28(25)38-29)36-27-15-9-8-14-26(27)34-31(36)24-19-17-23(18-20-24)22-11-5-4-6-12-22/h4-21,30H,1-3H3,(H,35,37).
What are the key properties of 2-(1-benzofuran-2-yl)-N-tert-butyl-2-[2-(4-phenylphenyl)benzimidazol-1-yl]acetamide?
2-(1-benzofuran-2-yl)-N-tert-butyl-2-[2-(4-phenylphenyl)benzimidazol-1-yl]acetamide has a molecular weight of 499.61 g/mol, XLogP of 7.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-N-tert-butyl-2-[2-(4-phenylphenyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 53383229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).