3-[3-(1H-benzimidazol-2-yl)propanoylamino]-N,N-diethylbenzamide

C21H24N4O2 — CID 35955630

IUPAC3-[3-(1H-benzimidazol-2-yl)propanoylamino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)CCc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C21H24N4O2/c1-3-25(4-2)21(27)15-8-7-9-16(14-15)22-20(26)13-12-19-23-17-10-5-6-11-18(17)24-19/h5-11,14H,3-4,12-13H2,1-2H3,(H,22,26)(H,23,24)
InChIKeyNWTAMAGVBWJMKS-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.62
Rot. Bonds7

About 3-[3-(1H-benzimidazol-2-yl)propanoylamino]-N,N-diethylbenzamide

3-[3-(1H-benzimidazol-2-yl)propanoylamino]-N,N-diethylbenzamide (PubChem CID 35955630) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 3-[3-(1H-benzimidazol-2-yl)propanoylamino]-N,N-diethylbenzamide.

Molecular Properties

Compound Name3-[3-(1H-benzimidazol-2-yl)propanoylamino]-N,N-diethylbenzamide
PubChem CID35955630
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name3-[3-(1H-benzimidazol-2-yl)propanoylamino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)CCc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C21H24N4O2/c1-3-25(4-2)21(27)15-8-7-9-16(14-15)22-20(26)13-12-19-23-17-10-5-6-11-18(17)24-19/h5-11,14H,3-4,12-13H2,1-2H3,(H,22,26)(H,23,24)
InChIKeyNWTAMAGVBWJMKS-UHFFFAOYSA-N
XLogP3.62
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-[3-(1H-benzimidazol-2-yl)propanoylamino]benzoate
CID 34202274
3-(1H-benzimidazol-2-yl)-N-[4-(diethylamino)phenyl]propanamide
CID 46567336
N,N'-bis[3-(diethylcarbamoyl)phenyl]decanediamide
CID 17194651
3-(1H-benzimidazol-2-yl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]propanamide
CID 46664877
N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]propanamide
CID 20933779
3-(1H-benzimidazol-2-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 25325404
N-[3-[3-(1H-benzimidazol-2-yl)propanoylamino]phenyl]-2-pyrazol-1-ylpropanamide
CID 46468409
3-(1H-benzimidazol-2-yl)-N-(4-bromophenyl)propanamide
CID 18811132
N,N-diethyl-3-[3-(4-methoxyphenyl)propanoylamino]benzamide
CID 31287562
3-(1H-benzimidazol-2-yl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)propanamide
CID 34035103
3-(1H-benzimidazol-2-yl)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]propanamide
CID 35955668
3-[[3-[[2-(1H-benzimidazol-2-yl)acetyl]amino]benzoyl]amino]propanoic acid
CID 70347028

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1H-benzimidazol-2-yl)propanoylamino]-N,N-diethylbenzamide?
The IUPAC name of 3-[3-(1H-benzimidazol-2-yl)propanoylamino]-N,N-diethylbenzamide (CID 35955630) is 3-[3-(1H-benzimidazol-2-yl)propanoylamino]-N,N-diethylbenzamide.
What is the SMILES notation for 3-[3-(1H-benzimidazol-2-yl)propanoylamino]-N,N-diethylbenzamide?
The canonical SMILES for 3-[3-(1H-benzimidazol-2-yl)propanoylamino]-N,N-diethylbenzamide is CCN(CC)C(=O)c1cccc(NC(=O)CCc2nc3ccccc3[nH]2)c1.
What is the InChIKey of 3-[3-(1H-benzimidazol-2-yl)propanoylamino]-N,N-diethylbenzamide?
The InChIKey is NWTAMAGVBWJMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-3-25(4-2)21(27)15-8-7-9-16(14-15)22-20(26)13-12-19-23-17-10-5-6-11-18(17)24-19/h5-11,14H,3-4,12-13H2,1-2H3,(H,22,26)(H,23,24).
What are the key properties of 3-[3-(1H-benzimidazol-2-yl)propanoylamino]-N,N-diethylbenzamide?
3-[3-(1H-benzimidazol-2-yl)propanoylamino]-N,N-diethylbenzamide has a molecular weight of 364.45 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1H-benzimidazol-2-yl)propanoylamino]-N,N-diethylbenzamide is sourced from PubChem (CID 35955630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).