N-(4-tert-butylphenyl)-2-[2-(2-chlorophenyl)benzimidazol-1-yl]acetamide

C25H24ClN3O — CID 5252722

IUPACN-(4-tert-butylphenyl)-2-[2-(2-chlorophenyl)benzimidazol-1-yl]acetamide
SMILESCC(C)(C)c1ccc(NC(=O)Cn2c(-c3ccccc3Cl)nc3ccccc32)cc1
InChIInChI=1S/C25H24ClN3O/c1-25(2,3)17-12-14-18(15-13-17)27-23(30)16-29-22-11-7-6-10-21(22)28-24(29)19-8-4-5-9-20(19)26/h4-15H,16H2,1-3H3,(H,27,30)
InChIKeyTYRSTUPAJVRZKO-UHFFFAOYSA-N
MW417.94 g/mol
LogP6.29
Rot. Bonds4

About N-(4-tert-butylphenyl)-2-[2-(2-chlorophenyl)benzimidazol-1-yl]acetamide

N-(4-tert-butylphenyl)-2-[2-(2-chlorophenyl)benzimidazol-1-yl]acetamide (PubChem CID 5252722) has the molecular formula C25H24ClN3O and a molecular weight of 417.94 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-[2-(2-chlorophenyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-[2-(2-chlorophenyl)benzimidazol-1-yl]acetamide
PubChem CID5252722
Molecular FormulaC25H24ClN3O
Molecular Weight417.94 g/mol
Exact Mass417.16
IUPAC NameN-(4-tert-butylphenyl)-2-[2-(2-chlorophenyl)benzimidazol-1-yl]acetamide
SMILESCC(C)(C)c1ccc(NC(=O)Cn2c(-c3ccccc3Cl)nc3ccccc32)cc1
InChIInChI=1S/C25H24ClN3O/c1-25(2,3)17-12-14-18(15-13-17)27-23(30)16-29-22-11-7-6-10-21(22)28-24(29)19-8-4-5-9-20(19)26/h4-15H,16H2,1-3H3,(H,27,30)
InChIKeyTYRSTUPAJVRZKO-UHFFFAOYSA-N
XLogP6.29
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.94
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-tert-butylphenyl)-2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]acetamide
CID 84571294
2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-(4-chlorophenyl)acetamide
CID 84572790
N-tert-butyl-2-[2-(2-chlorophenyl)benzimidazol-1-yl]acetamide
CID 17032773
4-[[2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]acetyl]amino]benzoic acid
CID 84572954
N-(4-methylphenyl)-2-[2-(2-methylphenyl)benzimidazol-1-yl]acetamide
CID 17032745
N-(4-tert-butylphenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide
CID 4566508
2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-(3-chlorophenyl)acetamide
CID 84571223
N-(4-tert-butylphenyl)-2-[2-(1-hydroxyethyl)benzimidazol-1-yl]acetamide
CID 112787797
N-(4-chlorophenyl)-2-[2-(4-methyl-1,3-thiazol-2-yl)benzimidazol-1-yl]acetamide
CID 67473088
2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 84572802
2-[2-(2,4-dichlorophenyl)benzimidazol-1-yl]-N-(3-fluorophenyl)acetamide
CID 17033179
N-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 17033040

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-[2-(2-chlorophenyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-(4-tert-butylphenyl)-2-[2-(2-chlorophenyl)benzimidazol-1-yl]acetamide (CID 5252722) is N-(4-tert-butylphenyl)-2-[2-(2-chlorophenyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-[2-(2-chlorophenyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2-[2-(2-chlorophenyl)benzimidazol-1-yl]acetamide is CC(C)(C)c1ccc(NC(=O)Cn2c(-c3ccccc3Cl)nc3ccccc32)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-[2-(2-chlorophenyl)benzimidazol-1-yl]acetamide?
The InChIKey is TYRSTUPAJVRZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O/c1-25(2,3)17-12-14-18(15-13-17)27-23(30)16-29-22-11-7-6-10-21(22)28-24(29)19-8-4-5-9-20(19)26/h4-15H,16H2,1-3H3,(H,27,30).
What are the key properties of N-(4-tert-butylphenyl)-2-[2-(2-chlorophenyl)benzimidazol-1-yl]acetamide?
N-(4-tert-butylphenyl)-2-[2-(2-chlorophenyl)benzimidazol-1-yl]acetamide has a molecular weight of 417.94 g/mol, XLogP of 6.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-[2-(2-chlorophenyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 5252722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).