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

C21H24N4O2 — CID 42893030

IUPAC3-[2-(benzimidazol-1-yl)propanoylamino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)C(C)n2cnc3ccccc32)c1
InChIInChI=1S/C21H24N4O2/c1-4-24(5-2)21(27)16-9-8-10-17(13-16)23-20(26)15(3)25-14-22-18-11-6-7-12-19(18)25/h6-15H,4-5H2,1-3H3,(H,23,26)
InChIKeyCCYOQYQCBJJHIR-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.72
Rot. Bonds6

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

3-[2-(benzimidazol-1-yl)propanoylamino]-N,N-diethylbenzamide (PubChem CID 42893030) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 3-[2-(benzimidazol-1-yl)propanoylamino]-N,N-diethylbenzamide.

Molecular Properties

Compound Name3-[2-(benzimidazol-1-yl)propanoylamino]-N,N-diethylbenzamide
PubChem CID42893030
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name3-[2-(benzimidazol-1-yl)propanoylamino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)C(C)n2cnc3ccccc32)c1
InChIInChI=1S/C21H24N4O2/c1-4-24(5-2)21(27)16-9-8-10-17(13-16)23-20(26)15(3)25-14-22-18-11-6-7-12-19(18)25/h6-15H,4-5H2,1-3H3,(H,23,26)
InChIKeyCCYOQYQCBJJHIR-UHFFFAOYSA-N
XLogP3.72
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(benzimidazol-1-yl)-N-(1,3-benzodioxol-5-yl)propanamide
CID 39036581
N-[2-[2-(benzimidazol-1-yl)propanoylamino]ethyl]benzamide
CID 42959454
2-(benzimidazol-1-yl)-N-(2-pyridin-4-ylethyl)propanamide
CID 75679386
(2S)-2-(benzimidazol-1-yl)-N-(4-methylsulfanylphenyl)propanamide
CID 39047094
N,N-diethyl-3-[(2-hydroxy-2-phenylacetyl)amino]benzamide
CID 111432146
(2S)-2-(benzimidazol-1-yl)-N-[3-fluoro-4-[(S)-methylsulfinyl]phenyl]propanamide
CID 97249332
3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N,N-diethylbenzamide
CID 119685445
N,N-diethyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]benzamide
CID 27892984
2-(benzimidazol-1-yl)-N-(2-hydroxypentyl)propanamide
CID 115700986
3-[(2-benzamido-3-methylpentanoyl)amino]-N,N-diethylbenzamide
CID 24626096
N,N-diethyl-3-[2-[3-(phenoxymethyl)piperidin-1-yl]propanoylamino]benzamide
CID 86972166
2-(benzimidazol-1-yl)-N-[4-fluoro-3-(methanesulfonamido)phenyl]propanamide
CID 42959453

Frequently Asked Questions

What is the IUPAC name of 3-[2-(benzimidazol-1-yl)propanoylamino]-N,N-diethylbenzamide?
The IUPAC name of 3-[2-(benzimidazol-1-yl)propanoylamino]-N,N-diethylbenzamide (CID 42893030) is 3-[2-(benzimidazol-1-yl)propanoylamino]-N,N-diethylbenzamide.
What is the SMILES notation for 3-[2-(benzimidazol-1-yl)propanoylamino]-N,N-diethylbenzamide?
The canonical SMILES for 3-[2-(benzimidazol-1-yl)propanoylamino]-N,N-diethylbenzamide is CCN(CC)C(=O)c1cccc(NC(=O)C(C)n2cnc3ccccc32)c1.
What is the InChIKey of 3-[2-(benzimidazol-1-yl)propanoylamino]-N,N-diethylbenzamide?
The InChIKey is CCYOQYQCBJJHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-4-24(5-2)21(27)16-9-8-10-17(13-16)23-20(26)15(3)25-14-22-18-11-6-7-12-19(18)25/h6-15H,4-5H2,1-3H3,(H,23,26).
What are the key properties of 3-[2-(benzimidazol-1-yl)propanoylamino]-N,N-diethylbenzamide?
3-[2-(benzimidazol-1-yl)propanoylamino]-N,N-diethylbenzamide has a molecular weight of 364.45 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(benzimidazol-1-yl)propanoylamino]-N,N-diethylbenzamide is sourced from PubChem (CID 42893030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).