4-acetamido-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide

C20H22N4O2 — CID 134036907

IUPAC4-acetamido-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)NCCCn2c(C)nc3ccccc32)cc1
InChIInChI=1S/C20H22N4O2/c1-14-22-18-6-3-4-7-19(18)24(14)13-5-12-21-20(26)16-8-10-17(11-9-16)23-15(2)25/h3-4,6-11H,5,12-13H2,1-2H3,(H,21,26)(H,23,25)
InChIKeyUEQCSUVAGPZHIU-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.12
Rot. Bonds6

About 4-acetamido-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide

4-acetamido-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide (PubChem CID 134036907) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 4-acetamido-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide
PubChem CID134036907
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name4-acetamido-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)NCCCn2c(C)nc3ccccc32)cc1
InChIInChI=1S/C20H22N4O2/c1-14-22-18-6-3-4-7-19(18)24(14)13-5-12-21-20(26)16-8-10-17(11-9-16)23-15(2)25/h3-4,6-11H,5,12-13H2,1-2H3,(H,21,26)(H,23,25)
InChIKeyUEQCSUVAGPZHIU-UHFFFAOYSA-N
XLogP3.12
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-methylbenzimidazol-1-yl)propyl]-4-(2-methylpropanoylamino)benzamide
CID 55628913
3-benzamido-4-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide
CID 55634219
N-[3-[[N'-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]carbamimidoyl]amino]propyl]benzamide
CID 111353072
N-[3-[[N'-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]carbamimidoyl]amino]propyl]benzamide;hydroiodide
CID 111353071
1-(4-acetylphenyl)-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea
CID 71898971
4-[(4-ethoxyphenyl)sulfamoyl]-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide
CID 55394943
N-[3-(2-methylbenzimidazol-1-yl)propyl]-3-nitrobenzamide
CID 51277941
5-acetamido-2-(methanesulfonamido)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
CID 56516205
3-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]-1,2-oxazole-5-carboxamide
CID 46519962
(E)-3-(4-acetamidophenyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]prop-2-enamide
CID 31266525
3,4-dimethyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]-5-(methylsulfamoyl)benzamide
CID 55514061
N-[3-[2-(2-methylbenzimidazol-1-yl)ethylamino]-3-oxopropyl]benzamide
CID 26444000

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide?
The IUPAC name of 4-acetamido-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide (CID 134036907) is 4-acetamido-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide.
What is the SMILES notation for 4-acetamido-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide?
The canonical SMILES for 4-acetamido-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide is CC(=O)Nc1ccc(C(=O)NCCCn2c(C)nc3ccccc32)cc1.
What is the InChIKey of 4-acetamido-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide?
The InChIKey is UEQCSUVAGPZHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-14-22-18-6-3-4-7-19(18)24(14)13-5-12-21-20(26)16-8-10-17(11-9-16)23-15(2)25/h3-4,6-11H,5,12-13H2,1-2H3,(H,21,26)(H,23,25).
What are the key properties of 4-acetamido-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide?
4-acetamido-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide has a molecular weight of 350.42 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide is sourced from PubChem (CID 134036907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).