2-[2-(4-chlorobenzoyl)benzimidazol-1-yl]-N-(4-propan-2-ylphenyl)acetamide

C25H22ClN3O2 — CID 46288978

IUPAC2-[2-(4-chlorobenzoyl)benzimidazol-1-yl]-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)Cn2c(C(=O)c3ccc(Cl)cc3)nc3ccccc32)cc1
InChIInChI=1S/C25H22ClN3O2/c1-16(2)17-9-13-20(14-10-17)27-23(30)15-29-22-6-4-3-5-21(22)28-25(29)24(31)18-7-11-19(26)12-8-18/h3-14,16H,15H2,1-2H3,(H,27,30)
InChIKeyFMUIOYLVEFCAMP-UHFFFAOYSA-N
MW431.92 g/mol
LogP5.68
Rot. Bonds6

About 2-[2-(4-chlorobenzoyl)benzimidazol-1-yl]-N-(4-propan-2-ylphenyl)acetamide

2-[2-(4-chlorobenzoyl)benzimidazol-1-yl]-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 46288978) has the molecular formula C25H22ClN3O2 and a molecular weight of 431.92 g/mol. Its IUPAC name is 2-[2-(4-chlorobenzoyl)benzimidazol-1-yl]-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorobenzoyl)benzimidazol-1-yl]-N-(4-propan-2-ylphenyl)acetamide
PubChem CID46288978
Molecular FormulaC25H22ClN3O2
Molecular Weight431.92 g/mol
Exact Mass431.14
IUPAC Name2-[2-(4-chlorobenzoyl)benzimidazol-1-yl]-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)Cn2c(C(=O)c3ccc(Cl)cc3)nc3ccccc32)cc1
InChIInChI=1S/C25H22ClN3O2/c1-16(2)17-9-13-20(14-10-17)27-23(30)15-29-22-6-4-3-5-21(22)28-25(29)24(31)18-7-11-19(26)12-8-18/h3-14,16H,15H2,1-2H3,(H,27,30)
InChIKeyFMUIOYLVEFCAMP-UHFFFAOYSA-N
XLogP5.68
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.92
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[1-[1-[2-(4-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17029611
2-[2-(4-chlorobenzoyl)benzimidazol-1-yl]-1-phenylethanone
CID 51032263
N-[[1-[2-(4-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17029321
N-[[1-[2-(4-bromoanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-chlorobenzamide
CID 17029564
N-phenyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 17028613
2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-(4-chlorophenyl)acetamide
CID 84572790
N-(4-chlorophenyl)-2-[2-[(2-methylphenyl)methyl]benzimidazol-1-yl]acetamide
CID 17032405
N-[1-(4-chlorophenyl)ethyl]-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide
CID 110882950
N-(4-chlorophenyl)-2-[2-(4-methyl-1,3-thiazol-2-yl)benzimidazol-1-yl]acetamide
CID 67473088
N-[2-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]ethyl]-4-chlorobenzamide
CID 17030906
2-[2-(2,5-dichlorophenyl)benzimidazol-1-yl]-N-(2-methyl-5-propan-2-ylphenyl)acetamide
CID 134133207
2-[2-(4-bromobenzoyl)benzimidazol-1-yl]-N-(2-ethylphenyl)acetamide
CID 46288947

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorobenzoyl)benzimidazol-1-yl]-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[2-(4-chlorobenzoyl)benzimidazol-1-yl]-N-(4-propan-2-ylphenyl)acetamide (CID 46288978) is 2-[2-(4-chlorobenzoyl)benzimidazol-1-yl]-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[2-(4-chlorobenzoyl)benzimidazol-1-yl]-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[2-(4-chlorobenzoyl)benzimidazol-1-yl]-N-(4-propan-2-ylphenyl)acetamide is CC(C)c1ccc(NC(=O)Cn2c(C(=O)c3ccc(Cl)cc3)nc3ccccc32)cc1.
What is the InChIKey of 2-[2-(4-chlorobenzoyl)benzimidazol-1-yl]-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is FMUIOYLVEFCAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN3O2/c1-16(2)17-9-13-20(14-10-17)27-23(30)15-29-22-6-4-3-5-21(22)28-25(29)24(31)18-7-11-19(26)12-8-18/h3-14,16H,15H2,1-2H3,(H,27,30).
What are the key properties of 2-[2-(4-chlorobenzoyl)benzimidazol-1-yl]-N-(4-propan-2-ylphenyl)acetamide?
2-[2-(4-chlorobenzoyl)benzimidazol-1-yl]-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 431.92 g/mol, XLogP of 5.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorobenzoyl)benzimidazol-1-yl]-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 46288978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).