N-(2,5-dimethylphenyl)-3-(1-phenylbenzimidazol-2-yl)propanamide

C24H23N3O — CID 52894225

IUPACN-(2,5-dimethylphenyl)-3-(1-phenylbenzimidazol-2-yl)propanamide
SMILESCc1ccc(C)c(NC(=O)CCc2nc3ccccc3n2-c2ccccc2)c1
InChIInChI=1S/C24H23N3O/c1-17-12-13-18(2)21(16-17)26-24(28)15-14-23-25-20-10-6-7-11-22(20)27(23)19-8-4-3-5-9-19/h3-13,16H,14-15H2,1-2H3,(H,26,28)
InChIKeyDANRZUSBOACBPA-UHFFFAOYSA-N
MW369.47 g/mol
LogP5.21
Rot. Bonds5

About N-(2,5-dimethylphenyl)-3-(1-phenylbenzimidazol-2-yl)propanamide

N-(2,5-dimethylphenyl)-3-(1-phenylbenzimidazol-2-yl)propanamide (PubChem CID 52894225) has the molecular formula C24H23N3O and a molecular weight of 369.47 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-3-(1-phenylbenzimidazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-3-(1-phenylbenzimidazol-2-yl)propanamide
PubChem CID52894225
Molecular FormulaC24H23N3O
Molecular Weight369.47 g/mol
Exact Mass369.18
IUPAC NameN-(2,5-dimethylphenyl)-3-(1-phenylbenzimidazol-2-yl)propanamide
SMILESCc1ccc(C)c(NC(=O)CCc2nc3ccccc3n2-c2ccccc2)c1
InChIInChI=1S/C24H23N3O/c1-17-12-13-18(2)21(16-17)26-24(28)15-14-23-25-20-10-6-7-11-22(20)27(23)19-8-4-3-5-9-19/h3-13,16H,14-15H2,1-2H3,(H,26,28)
InChIKeyDANRZUSBOACBPA-UHFFFAOYSA-N
XLogP5.21
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.47
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylphenyl)-3-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea
CID 46382396
N-(1-ethylpyrazol-4-yl)-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 60508285
N-(3-hydroxypropyl)-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 78796237
N-[2-(ethylamino)ethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide;hydrochloride
CID 119504582
3-[3-(1-phenylbenzimidazol-2-yl)propanoylamino]butanoic acid
CID 119221124
N-(3-aminobutyl)-3-(1-phenylbenzimidazol-2-yl)propanamide;hydrochloride
CID 119494794
N-(2,5-dimethylphenyl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 17031795
1-(2-methoxy-5-methylphenyl)-3-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea
CID 46382413
N-[3-[1-[2-(2,5-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]butanamide
CID 17031125
3-(benzimidazol-1-yl)-N-(2,5-dimethylphenyl)propanamide
CID 25349690
3-(4-methoxyphenyl)-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]propanamide
CID 46290493
3-(1-phenylbenzimidazol-2-yl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide
CID 38714091

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-3-(1-phenylbenzimidazol-2-yl)propanamide?
The IUPAC name of N-(2,5-dimethylphenyl)-3-(1-phenylbenzimidazol-2-yl)propanamide (CID 52894225) is N-(2,5-dimethylphenyl)-3-(1-phenylbenzimidazol-2-yl)propanamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-3-(1-phenylbenzimidazol-2-yl)propanamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-3-(1-phenylbenzimidazol-2-yl)propanamide is Cc1ccc(C)c(NC(=O)CCc2nc3ccccc3n2-c2ccccc2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-3-(1-phenylbenzimidazol-2-yl)propanamide?
The InChIKey is DANRZUSBOACBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O/c1-17-12-13-18(2)21(16-17)26-24(28)15-14-23-25-20-10-6-7-11-22(20)27(23)19-8-4-3-5-9-19/h3-13,16H,14-15H2,1-2H3,(H,26,28).
What are the key properties of N-(2,5-dimethylphenyl)-3-(1-phenylbenzimidazol-2-yl)propanamide?
N-(2,5-dimethylphenyl)-3-(1-phenylbenzimidazol-2-yl)propanamide has a molecular weight of 369.47 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-3-(1-phenylbenzimidazol-2-yl)propanamide is sourced from PubChem (CID 52894225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).