N-(2-chloro-4-methylphenyl)-3-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]propanamide

C25H24ClN3O2 — CID 90069141

IUPACN-(2-chloro-4-methylphenyl)-3-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]propanamide
SMILESCOc1ccc(Cn2c(CCC(=O)Nc3ccc(C)cc3Cl)nc3ccccc32)cc1
InChIInChI=1S/C25H24ClN3O2/c1-17-7-12-21(20(26)15-17)28-25(30)14-13-24-27-22-5-3-4-6-23(22)29(24)16-18-8-10-19(31-2)11-9-18/h3-12,15H,13-14,16H2,1-2H3,(H,28,30)
InChIKeyLNDYPXFWQXSUQI-UHFFFAOYSA-N
MW433.94 g/mol
LogP5.63
Rot. Bonds7

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

N-(2-chloro-4-methylphenyl)-3-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]propanamide (PubChem CID 90069141) has the molecular formula C25H24ClN3O2 and a molecular weight of 433.94 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-3-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]propanamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-3-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]propanamide
PubChem CID90069141
Molecular FormulaC25H24ClN3O2
Molecular Weight433.94 g/mol
Exact Mass433.16
IUPAC NameN-(2-chloro-4-methylphenyl)-3-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]propanamide
SMILESCOc1ccc(Cn2c(CCC(=O)Nc3ccc(C)cc3Cl)nc3ccccc32)cc1
InChIInChI=1S/C25H24ClN3O2/c1-17-7-12-21(20(26)15-17)28-25(30)14-13-24-27-22-5-3-4-6-23(22)29(24)16-18-8-10-19(31-2)11-9-18/h3-12,15H,13-14,16H2,1-2H3,(H,28,30)
InChIKeyLNDYPXFWQXSUQI-UHFFFAOYSA-N
XLogP5.63
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.94
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide
CID 16976379
2-(2,5-dimethylphenoxy)-N-[3-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]propyl]acetamide
CID 16986572
N-(2-chloro-4-methylphenyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 18097747
N-[2-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 16975902
N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]propanamide
CID 17006058
N-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propyl]-2-(4-methoxyphenyl)acetamide
CID 16985536
N-(2-chloro-4-methylphenyl)-2-[2-[(1R)-1-phenoxyethyl]benzimidazol-1-yl]acetamide
CID 40704872
3-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(4-methoxyphenyl)propanamide
CID 51066958
N-[3-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]-2-(4-methoxyphenyl)acetamide
CID 16985537
2-(4-methoxyphenyl)-N-[2-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
CID 16979574
N-[2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide
CID 16976701
N-[2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]butanamide
CID 4754944

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-3-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]propanamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-3-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]propanamide (CID 90069141) is N-(2-chloro-4-methylphenyl)-3-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]propanamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-3-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]propanamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-3-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]propanamide is COc1ccc(Cn2c(CCC(=O)Nc3ccc(C)cc3Cl)nc3ccccc32)cc1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-3-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]propanamide?
The InChIKey is LNDYPXFWQXSUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O2/c1-17-7-12-21(20(26)15-17)28-25(30)14-13-24-27-22-5-3-4-6-23(22)29(24)16-18-8-10-19(31-2)11-9-18/h3-12,15H,13-14,16H2,1-2H3,(H,28,30).
What are the key properties of N-(2-chloro-4-methylphenyl)-3-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]propanamide?
N-(2-chloro-4-methylphenyl)-3-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]propanamide has a molecular weight of 433.94 g/mol, XLogP of 5.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-3-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]propanamide is sourced from PubChem (CID 90069141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).