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

C26H26N4O2 — CID 55634219

IUPAC3-benzamido-4-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide
SMILESCc1ccc(C(=O)NCCCn2c(C)nc3ccccc32)cc1NC(=O)c1ccccc1
InChIInChI=1S/C26H26N4O2/c1-18-13-14-21(17-23(18)29-26(32)20-9-4-3-5-10-20)25(31)27-15-8-16-30-19(2)28-22-11-6-7-12-24(22)30/h3-7,9-14,17H,8,15-16H2,1-2H3,(H,27,31)(H,29,32)
InChIKeyLMZFDYYVUHILLP-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.73
Rot. Bonds7

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

3-benzamido-4-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide (PubChem CID 55634219) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is 3-benzamido-4-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide.

Molecular Properties

Compound Name3-benzamido-4-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide
PubChem CID55634219
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC Name3-benzamido-4-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide
SMILESCc1ccc(C(=O)NCCCn2c(C)nc3ccccc32)cc1NC(=O)c1ccccc1
InChIInChI=1S/C26H26N4O2/c1-18-13-14-21(17-23(18)29-26(32)20-9-4-3-5-10-20)25(31)27-15-8-16-30-19(2)28-22-11-6-7-12-24(22)30/h3-7,9-14,17H,8,15-16H2,1-2H3,(H,27,31)(H,29,32)
InChIKeyLMZFDYYVUHILLP-UHFFFAOYSA-N
XLogP4.73
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.73
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

4-acetamido-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide
CID 134036907
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
N-[3-(2-methylbenzimidazol-1-yl)propyl]-4-(2-methylpropanoylamino)benzamide
CID 55628913
N-[3-(2-methylbenzimidazol-1-yl)propyl]-3-nitrobenzamide
CID 51277941
N-[3-(2-methylbenzimidazol-1-yl)propyl]-3-propoxybenzamide
CID 55794237
3-benzamido-4-methyl-N-pentylbenzamide
CID 17226355
N-[2-[3-(2-methylbenzimidazol-1-yl)propylcarbamoyl]phenyl]thiophene-3-carboxamide
CID 55523213
N-[3-[2-(2-methylbenzimidazol-1-yl)ethylamino]-3-oxopropyl]benzamide
CID 26444000
3,4-dimethyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]-5-(methylsulfamoyl)benzamide
CID 55514061
3-[(3-bromobenzoyl)amino]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
CID 112832627
3-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]-1,2-oxazole-5-carboxamide
CID 46519962

Frequently Asked Questions

What is the IUPAC name of 3-benzamido-4-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide?
The IUPAC name of 3-benzamido-4-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide (CID 55634219) is 3-benzamido-4-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide.
What is the SMILES notation for 3-benzamido-4-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide?
The canonical SMILES for 3-benzamido-4-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide is Cc1ccc(C(=O)NCCCn2c(C)nc3ccccc32)cc1NC(=O)c1ccccc1.
What is the InChIKey of 3-benzamido-4-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide?
The InChIKey is LMZFDYYVUHILLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c1-18-13-14-21(17-23(18)29-26(32)20-9-4-3-5-10-20)25(31)27-15-8-16-30-19(2)28-22-11-6-7-12-24(22)30/h3-7,9-14,17H,8,15-16H2,1-2H3,(H,27,31)(H,29,32).
What are the key properties of 3-benzamido-4-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide?
3-benzamido-4-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide has a molecular weight of 426.52 g/mol, XLogP of 4.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-4-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide is sourced from PubChem (CID 55634219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).