2-phenyl-N-[4-[6-[(2-phenylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide

C29H24N4O2 — CID 1101870

IUPAC2-phenyl-N-[4-[6-[(2-phenylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide
SMILESO=C(Cc1ccccc1)Nc1ccc(-c2nc3ccc(NC(=O)Cc4ccccc4)cc3[nH]2)cc1
InChIInChI=1S/C29H24N4O2/c34-27(17-20-7-3-1-4-8-20)30-23-13-11-22(12-14-23)29-32-25-16-15-24(19-26(25)33-29)31-28(35)18-21-9-5-2-6-10-21/h1-16,19H,17-18H2,(H,30,34)(H,31,35)(H,32,33)
InChIKeyIHEPPWCSCVRWJV-UHFFFAOYSA-N
MW460.54 g/mol
LogP5.59
Rot. Bonds7

About 2-phenyl-N-[4-[6-[(2-phenylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide

2-phenyl-N-[4-[6-[(2-phenylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide (PubChem CID 1101870) has the molecular formula C29H24N4O2 and a molecular weight of 460.54 g/mol. Its IUPAC name is 2-phenyl-N-[4-[6-[(2-phenylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-phenyl-N-[4-[6-[(2-phenylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide
PubChem CID1101870
Molecular FormulaC29H24N4O2
Molecular Weight460.54 g/mol
Exact Mass460.19
IUPAC Name2-phenyl-N-[4-[6-[(2-phenylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide
SMILESO=C(Cc1ccccc1)Nc1ccc(-c2nc3ccc(NC(=O)Cc4ccccc4)cc3[nH]2)cc1
InChIInChI=1S/C29H24N4O2/c34-27(17-20-7-3-1-4-8-20)30-23-13-11-22(12-14-23)29-32-25-16-15-24(19-26(25)33-29)31-28(35)18-21-9-5-2-6-10-21/h1-16,19H,17-18H2,(H,30,34)(H,31,35)(H,32,33)
InChIKeyIHEPPWCSCVRWJV-UHFFFAOYSA-N
XLogP5.59
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.54
LogP ≤ 55.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[4-[6-[(2-phenylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide?
The IUPAC name of 2-phenyl-N-[4-[6-[(2-phenylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide (CID 1101870) is 2-phenyl-N-[4-[6-[(2-phenylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide.
What is the SMILES notation for 2-phenyl-N-[4-[6-[(2-phenylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide?
The canonical SMILES for 2-phenyl-N-[4-[6-[(2-phenylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide is O=C(Cc1ccccc1)Nc1ccc(-c2nc3ccc(NC(=O)Cc4ccccc4)cc3[nH]2)cc1.
What is the InChIKey of 2-phenyl-N-[4-[6-[(2-phenylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide?
The InChIKey is IHEPPWCSCVRWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N4O2/c34-27(17-20-7-3-1-4-8-20)30-23-13-11-22(12-14-23)29-32-25-16-15-24(19-26(25)33-29)31-28(35)18-21-9-5-2-6-10-21/h1-16,19H,17-18H2,(H,30,34)(H,31,35)(H,32,33).
What are the key properties of 2-phenyl-N-[4-[6-[(2-phenylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide?
2-phenyl-N-[4-[6-[(2-phenylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide has a molecular weight of 460.54 g/mol, XLogP of 5.59, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[4-[6-[(2-phenylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide is sourced from PubChem (CID 1101870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).