3-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(4-methoxyphenyl)propanamide

C24H21Cl2N3O2 — CID 51066958

IUPAC3-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCn2c(Cc3ccc(Cl)c(Cl)c3)nc3ccccc32)cc1
InChIInChI=1S/C24H21Cl2N3O2/c1-31-18-9-7-17(8-10-18)27-24(30)12-13-29-22-5-3-2-4-21(22)28-23(29)15-16-6-11-19(25)20(26)14-16/h2-11,14H,12-13,15H2,1H3,(H,27,30)
InChIKeyYYOOXIRHKQTJPY-UHFFFAOYSA-N
MW454.36 g/mol
LogP5.97
Rot. Bonds7

About 3-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(4-methoxyphenyl)propanamide

3-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(4-methoxyphenyl)propanamide (PubChem CID 51066958) has the molecular formula C24H21Cl2N3O2 and a molecular weight of 454.36 g/mol. Its IUPAC name is 3-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(4-methoxyphenyl)propanamide
PubChem CID51066958
Molecular FormulaC24H21Cl2N3O2
Molecular Weight454.36 g/mol
Exact Mass453.10
IUPAC Name3-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCn2c(Cc3ccc(Cl)c(Cl)c3)nc3ccccc32)cc1
InChIInChI=1S/C24H21Cl2N3O2/c1-31-18-9-7-17(8-10-18)27-24(30)12-13-29-22-5-3-2-4-21(22)28-23(29)15-16-6-11-19(25)20(26)14-16/h2-11,14H,12-13,15H2,1H3,(H,27,30)
InChIKeyYYOOXIRHKQTJPY-UHFFFAOYSA-N
XLogP5.97
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.36
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(4-methoxyphenyl)acetamide
CID 51066936
3-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(4-methoxyphenyl)propanamide
CID 51066923
N-(4-fluorophenyl)-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]acetamide
CID 17032599
2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N-(4-methylphenyl)acetamide
CID 17032647
N-(2-chloro-4-methylphenyl)-3-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]propanamide
CID 90069141
6-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]hexan-1-ol
CID 177375660
2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 46731944
3-(4-methoxyphenyl)-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]propanamide
CID 46290493
3-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]propanenitrile
CID 82144754
2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N-(3,5-dimethylphenyl)acetamide
CID 17032658
2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 17032665
3-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-methoxyethyl)propanamide
CID 42810164

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(4-methoxyphenyl)propanamide?
The IUPAC name of 3-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(4-methoxyphenyl)propanamide (CID 51066958) is 3-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(4-methoxyphenyl)propanamide.
What is the SMILES notation for 3-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(4-methoxyphenyl)propanamide?
The canonical SMILES for 3-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(4-methoxyphenyl)propanamide is COc1ccc(NC(=O)CCn2c(Cc3ccc(Cl)c(Cl)c3)nc3ccccc32)cc1.
What is the InChIKey of 3-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(4-methoxyphenyl)propanamide?
The InChIKey is YYOOXIRHKQTJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2N3O2/c1-31-18-9-7-17(8-10-18)27-24(30)12-13-29-22-5-3-2-4-21(22)28-23(29)15-16-6-11-19(25)20(26)14-16/h2-11,14H,12-13,15H2,1H3,(H,27,30).
What are the key properties of 3-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(4-methoxyphenyl)propanamide?
3-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(4-methoxyphenyl)propanamide has a molecular weight of 454.36 g/mol, XLogP of 5.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 51066958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).