2-[4-(4-acetamidophenyl)phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid

C23H19N3O3 — CID 122182176

IUPAC2-[4-(4-acetamidophenyl)phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid
SMILESCC(=O)Nc1ccc(-c2ccc(-c3nc4c(C(=O)O)cc(C)cc4[nH]3)cc2)cc1
InChIInChI=1S/C23H19N3O3/c1-13-11-19(23(28)29)21-20(12-13)25-22(26-21)17-5-3-15(4-6-17)16-7-9-18(10-8-16)24-14(2)27/h3-12H,1-2H3,(H,24,27)(H,25,26)(H,28,29)
InChIKeySOCJQIRXKWHKSS-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.86
Rot. Bonds4

About 2-[4-(4-acetamidophenyl)phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid

2-[4-(4-acetamidophenyl)phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid (PubChem CID 122182176) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is 2-[4-(4-acetamidophenyl)phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[4-(4-acetamidophenyl)phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid
PubChem CID122182176
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name2-[4-(4-acetamidophenyl)phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid
SMILESCC(=O)Nc1ccc(-c2ccc(-c3nc4c(C(=O)O)cc(C)cc4[nH]3)cc2)cc1
InChIInChI=1S/C23H19N3O3/c1-13-11-19(23(28)29)21-20(12-13)25-22(26-21)17-5-3-15(4-6-17)16-7-9-18(10-8-16)24-14(2)27/h3-12H,1-2H3,(H,24,27)(H,25,26)(H,28,29)
InChIKeySOCJQIRXKWHKSS-UHFFFAOYSA-N
XLogP4.86
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-acetamidophenyl)phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid?
The IUPAC name of 2-[4-(4-acetamidophenyl)phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid (CID 122182176) is 2-[4-(4-acetamidophenyl)phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid.
What is the SMILES notation for 2-[4-(4-acetamidophenyl)phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid?
The canonical SMILES for 2-[4-(4-acetamidophenyl)phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid is CC(=O)Nc1ccc(-c2ccc(-c3nc4c(C(=O)O)cc(C)cc4[nH]3)cc2)cc1.
What is the InChIKey of 2-[4-(4-acetamidophenyl)phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid?
The InChIKey is SOCJQIRXKWHKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c1-13-11-19(23(28)29)21-20(12-13)25-22(26-21)17-5-3-15(4-6-17)16-7-9-18(10-8-16)24-14(2)27/h3-12H,1-2H3,(H,24,27)(H,25,26)(H,28,29).
What are the key properties of 2-[4-(4-acetamidophenyl)phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid?
2-[4-(4-acetamidophenyl)phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid has a molecular weight of 385.42 g/mol, XLogP of 4.86, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-acetamidophenyl)phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 122182176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).