2-(6-chloro-1-phenylbenzimidazol-2-yl)-N-(2,6-diethoxyphenyl)acetamide

C25H24ClN3O3 — CID 139704441

IUPAC2-(6-chloro-1-phenylbenzimidazol-2-yl)-N-(2,6-diethoxyphenyl)acetamide
SMILESCCOc1cccc(OCC)c1NC(=O)Cc1nc2ccc(Cl)cc2n1-c1ccccc1
InChIInChI=1S/C25H24ClN3O3/c1-3-31-21-11-8-12-22(32-4-2)25(21)28-24(30)16-23-27-19-14-13-17(26)15-20(19)29(23)18-9-6-5-7-10-18/h5-15H,3-4,16H2,1-2H3,(H,28,30)
InChIKeyXLEOBVNJHLQGFU-UHFFFAOYSA-N
MW449.94 g/mol
LogP5.66
Rot. Bonds8

About 2-(6-chloro-1-phenylbenzimidazol-2-yl)-N-(2,6-diethoxyphenyl)acetamide

2-(6-chloro-1-phenylbenzimidazol-2-yl)-N-(2,6-diethoxyphenyl)acetamide (PubChem CID 139704441) has the molecular formula C25H24ClN3O3 and a molecular weight of 449.94 g/mol. Its IUPAC name is 2-(6-chloro-1-phenylbenzimidazol-2-yl)-N-(2,6-diethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(6-chloro-1-phenylbenzimidazol-2-yl)-N-(2,6-diethoxyphenyl)acetamide
PubChem CID139704441
Molecular FormulaC25H24ClN3O3
Molecular Weight449.94 g/mol
Exact Mass449.15
IUPAC Name2-(6-chloro-1-phenylbenzimidazol-2-yl)-N-(2,6-diethoxyphenyl)acetamide
SMILESCCOc1cccc(OCC)c1NC(=O)Cc1nc2ccc(Cl)cc2n1-c1ccccc1
InChIInChI=1S/C25H24ClN3O3/c1-3-31-21-11-8-12-22(32-4-2)25(21)28-24(30)16-23-27-19-14-13-17(26)15-20(19)29(23)18-9-6-5-7-10-18/h5-15H,3-4,16H2,1-2H3,(H,28,30)
InChIKeyXLEOBVNJHLQGFU-UHFFFAOYSA-N
XLogP5.66
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.94
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-2-(chloromethyl)-1-(2-ethoxyphenyl)benzimidazole
CID 115471046
N-hydroxy-2-(1-phenylbenzimidazol-2-yl)acetamide
CID 3049623
6-chloro-2-(chloromethyl)-1-(3-methoxyphenyl)benzimidazole
CID 115470981
2-ethyl-3-phenylbenzimidazole-5-carboxylic acid
CID 80502841
2-[2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 17032224
N-[4-[[2-(6-chloroindol-1-yl)acetyl]amino]-2,5-diethoxyphenyl]benzamide
CID 60567548
1-(3-chlorophenyl)-3-[3-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea
CID 46382241
2-(4-chlorophenoxy)-N-[[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]acetamide
CID 16971124
2-[4-(2-butyl-6-chlorobenzimidazol-1-yl)-2-methylphenyl]benzoic acid
CID 67572433
2-(1-phenylbenzimidazol-2-yl)acetic acid
CID 61271443
2-(6-chloro-1-methylbenzimidazol-2-yl)acetic acid
CID 83849999
2-(2-ethoxyphenoxy)-N-(2,4,6-trichlorophenyl)acetamide
CID 7613010

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1-phenylbenzimidazol-2-yl)-N-(2,6-diethoxyphenyl)acetamide?
The IUPAC name of 2-(6-chloro-1-phenylbenzimidazol-2-yl)-N-(2,6-diethoxyphenyl)acetamide (CID 139704441) is 2-(6-chloro-1-phenylbenzimidazol-2-yl)-N-(2,6-diethoxyphenyl)acetamide.
What is the SMILES notation for 2-(6-chloro-1-phenylbenzimidazol-2-yl)-N-(2,6-diethoxyphenyl)acetamide?
The canonical SMILES for 2-(6-chloro-1-phenylbenzimidazol-2-yl)-N-(2,6-diethoxyphenyl)acetamide is CCOc1cccc(OCC)c1NC(=O)Cc1nc2ccc(Cl)cc2n1-c1ccccc1.
What is the InChIKey of 2-(6-chloro-1-phenylbenzimidazol-2-yl)-N-(2,6-diethoxyphenyl)acetamide?
The InChIKey is XLEOBVNJHLQGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O3/c1-3-31-21-11-8-12-22(32-4-2)25(21)28-24(30)16-23-27-19-14-13-17(26)15-20(19)29(23)18-9-6-5-7-10-18/h5-15H,3-4,16H2,1-2H3,(H,28,30).
What are the key properties of 2-(6-chloro-1-phenylbenzimidazol-2-yl)-N-(2,6-diethoxyphenyl)acetamide?
2-(6-chloro-1-phenylbenzimidazol-2-yl)-N-(2,6-diethoxyphenyl)acetamide has a molecular weight of 449.94 g/mol, XLogP of 5.66, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1-phenylbenzimidazol-2-yl)-N-(2,6-diethoxyphenyl)acetamide is sourced from PubChem (CID 139704441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).