4-(benzimidazol-1-yl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylbenzamide

C21H24N4O2 — CID 31370181

IUPAC4-(benzimidazol-1-yl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylbenzamide
SMILESCCN(CC)C(=O)CN(C)C(=O)c1ccc(-n2cnc3ccccc32)cc1
InChIInChI=1S/C21H24N4O2/c1-4-24(5-2)20(26)14-23(3)21(27)16-10-12-17(13-11-16)25-15-22-18-8-6-7-9-19(18)25/h6-13,15H,4-5,14H2,1-3H3
InChIKeyJGEVLGVTNKSCKK-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.97
Rot. Bonds6

About 4-(benzimidazol-1-yl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylbenzamide

4-(benzimidazol-1-yl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylbenzamide (PubChem CID 31370181) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-(benzimidazol-1-yl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-(benzimidazol-1-yl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylbenzamide
PubChem CID31370181
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name4-(benzimidazol-1-yl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylbenzamide
SMILESCCN(CC)C(=O)CN(C)C(=O)c1ccc(-n2cnc3ccccc32)cc1
InChIInChI=1S/C21H24N4O2/c1-4-24(5-2)20(26)14-23(3)21(27)16-10-12-17(13-11-16)25-15-22-18-8-6-7-9-19(18)25/h6-13,15H,4-5,14H2,1-3H3
InChIKeyJGEVLGVTNKSCKK-UHFFFAOYSA-N
XLogP2.97
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(diethylamino)-2-oxoethyl]-N-methylbenzamide
CID 60668984
4-(benzimidazol-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbenzamide
CID 18111635
4-(benzimidazol-1-yl)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methylbenzamide
CID 40791013
4-(benzimidazol-1-yl)-N-propyl-N-pyrrolidin-3-ylbenzamide
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CID 49133984
4-(benzimidazol-1-yl)-N-butan-2-ylbenzamide
CID 24624881
4-[[4-(benzimidazol-1-yl)benzoyl]amino]-N-propylbenzamide
CID 55948136
1-(4-ethoxyphenyl)benzimidazole
CID 175001446
N-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methyl-4-(1,2,4-triazol-1-yl)benzamide
CID 86916477
4-(benzimidazol-1-yl)-N-[(2S)-pentan-2-yl]benzamide
CID 30332300
4-(benzimidazol-1-yl)-N-[2-[di(propan-2-yl)amino]ethyl]benzamide
CID 18150595
N-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methyl-4-(methylsulfonylmethyl)benzamide
CID 86916473

Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-yl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylbenzamide?
The IUPAC name of 4-(benzimidazol-1-yl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylbenzamide (CID 31370181) is 4-(benzimidazol-1-yl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylbenzamide.
What is the SMILES notation for 4-(benzimidazol-1-yl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylbenzamide?
The canonical SMILES for 4-(benzimidazol-1-yl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylbenzamide is CCN(CC)C(=O)CN(C)C(=O)c1ccc(-n2cnc3ccccc32)cc1.
What is the InChIKey of 4-(benzimidazol-1-yl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylbenzamide?
The InChIKey is JGEVLGVTNKSCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-4-24(5-2)20(26)14-23(3)21(27)16-10-12-17(13-11-16)25-15-22-18-8-6-7-9-19(18)25/h6-13,15H,4-5,14H2,1-3H3.
What are the key properties of 4-(benzimidazol-1-yl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylbenzamide?
4-(benzimidazol-1-yl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylbenzamide has a molecular weight of 364.45 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-yl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylbenzamide is sourced from PubChem (CID 31370181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).