N-[6-[1-[(2-methylphenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]-2-phenylacetamide;N-[6-[3-[(2-methylphenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]-2-phenylacetamide

C56H48N8O2 — CID 161231093

IUPACN-[6-[1-[(2-methylphenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]-2-phenylacetamide;N-[6-[3-[(2-methylphenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]-2-phenylacetamide
SMILESCc1ccccc1Cn1cnc2cc(-c3cccc(NC(=O)Cc4ccccc4)n3)ccc21.Cc1ccccc1Cn1cnc2ccc(-c3cccc(NC(=O)Cc4ccccc4)n3)cc21
InChIInChI=1S/2C28H24N4O/c1-20-8-5-6-11-23(20)18-32-19-29-25-17-22(14-15-26(25)32)24-12-7-13-27(30-24)31-28(33)16-21-9-3-2-4-10-21;1-20-8-5-6-11-23(20)18-32-19-29-25-15-14-22(17-26(25)32)24-12-7-13-27(30-24)31-28(33)16-21-9-3-2-4-10-21/h2*2-15,17,19H,16,18H2,1H3,(H,30,31,33)
InChIKeyUYTIIMAWUDPQDT-UHFFFAOYSA-N
MW865.05 g/mol
LogP11.27
Rot. Bonds12

About N-[6-[1-[(2-methylphenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]-2-phenylacetamide;N-[6-[3-[(2-methylphenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]-2-phenylacetamide

N-[6-[1-[(2-methylphenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]-2-phenylacetamide;N-[6-[3-[(2-methylphenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]-2-phenylacetamide (PubChem CID 161231093) has the molecular formula C56H48N8O2 and a molecular weight of 865.05 g/mol. Its IUPAC name is N-[6-[1-[(2-methylphenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]-2-phenylacetamide;N-[6-[3-[(2-methylphenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[6-[1-[(2-methylphenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]-2-phenylacetamide;N-[6-[3-[(2-methylphenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]-2-phenylacetamide
PubChem CID161231093
Molecular FormulaC56H48N8O2
Molecular Weight865.05 g/mol
Exact Mass864.39
IUPAC NameN-[6-[1-[(2-methylphenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]-2-phenylacetamide;N-[6-[3-[(2-methylphenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]-2-phenylacetamide
SMILESCc1ccccc1Cn1cnc2cc(-c3cccc(NC(=O)Cc4ccccc4)n3)ccc21.Cc1ccccc1Cn1cnc2ccc(-c3cccc(NC(=O)Cc4ccccc4)n3)cc21
InChIInChI=1S/2C28H24N4O/c1-20-8-5-6-11-23(20)18-32-19-29-25-17-22(14-15-26(25)32)24-12-7-13-27(30-24)31-28(33)16-21-9-3-2-4-10-21;1-20-8-5-6-11-23(20)18-32-19-29-25-15-14-22(17-26(25)32)24-12-7-13-27(30-24)31-28(33)16-21-9-3-2-4-10-21/h2*2-15,17,19H,16,18H2,1H3,(H,30,31,33)
InChIKeyUYTIIMAWUDPQDT-UHFFFAOYSA-N
XLogP11.27
TPSA119.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500865.05
LogP ≤ 511.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[6-[1-[(2-methylphenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]-2-phenylacetamide;N-[6-[3-[(2-methylphenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]-2-phenylacetamide?
The IUPAC name of N-[6-[1-[(2-methylphenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]-2-phenylacetamide;N-[6-[3-[(2-methylphenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]-2-phenylacetamide (CID 161231093) is N-[6-[1-[(2-methylphenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]-2-phenylacetamide;N-[6-[3-[(2-methylphenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]-2-phenylacetamide.
What is the SMILES notation for N-[6-[1-[(2-methylphenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]-2-phenylacetamide;N-[6-[3-[(2-methylphenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]-2-phenylacetamide?
The canonical SMILES for N-[6-[1-[(2-methylphenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]-2-phenylacetamide;N-[6-[3-[(2-methylphenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]-2-phenylacetamide is Cc1ccccc1Cn1cnc2cc(-c3cccc(NC(=O)Cc4ccccc4)n3)ccc21.Cc1ccccc1Cn1cnc2ccc(-c3cccc(NC(=O)Cc4ccccc4)n3)cc21.
What is the InChIKey of N-[6-[1-[(2-methylphenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]-2-phenylacetamide;N-[6-[3-[(2-methylphenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]-2-phenylacetamide?
The InChIKey is UYTIIMAWUDPQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H24N4O/c1-20-8-5-6-11-23(20)18-32-19-29-25-17-22(14-15-26(25)32)24-12-7-13-27(30-24)31-28(33)16-21-9-3-2-4-10-21;1-20-8-5-6-11-23(20)18-32-19-29-25-15-14-22(17-26(25)32)24-12-7-13-27(30-24)31-28(33)16-21-9-3-2-4-10-21/h2*2-15,17,19H,16,18H2,1H3,(H,30,31,33).
What are the key properties of N-[6-[1-[(2-methylphenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]-2-phenylacetamide;N-[6-[3-[(2-methylphenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]-2-phenylacetamide?
N-[6-[1-[(2-methylphenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]-2-phenylacetamide;N-[6-[3-[(2-methylphenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]-2-phenylacetamide has a molecular weight of 865.05 g/mol, XLogP of 11.27, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[1-[(2-methylphenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]-2-phenylacetamide;N-[6-[3-[(2-methylphenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]-2-phenylacetamide is sourced from PubChem (CID 161231093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).