2-[3-(benzimidazol-1-yl)propylcarbamoyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide

C23H29N5O2 — CID 55457371

IUPAC2-[3-(benzimidazol-1-yl)propylcarbamoyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN(C)C(=O)NCCCn2cnc3ccccc32)c(C)c1
InChIInChI=1S/C23H29N5O2/c1-16-12-17(2)22(18(3)13-16)26-21(29)14-27(4)23(30)24-10-7-11-28-15-25-19-8-5-6-9-20(19)28/h5-6,8-9,12-13,15H,7,10-11,14H2,1-4H3,(H,24,30)(H,26,29)
InChIKeyUUWKSEQJBUKDGH-UHFFFAOYSA-N
MW407.52 g/mol
LogP3.63
Rot. Bonds7

About 2-[3-(benzimidazol-1-yl)propylcarbamoyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide

2-[3-(benzimidazol-1-yl)propylcarbamoyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 55457371) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is 2-[3-(benzimidazol-1-yl)propylcarbamoyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(benzimidazol-1-yl)propylcarbamoyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID55457371
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC Name2-[3-(benzimidazol-1-yl)propylcarbamoyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN(C)C(=O)NCCCn2cnc3ccccc32)c(C)c1
InChIInChI=1S/C23H29N5O2/c1-16-12-17(2)22(18(3)13-16)26-21(29)14-27(4)23(30)24-10-7-11-28-15-25-19-8-5-6-9-20(19)28/h5-6,8-9,12-13,15H,7,10-11,14H2,1-4H3,(H,24,30)(H,26,29)
InChIKeyUUWKSEQJBUKDGH-UHFFFAOYSA-N
XLogP3.63
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 53.63
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

3-[3-(benzimidazol-1-yl)propyl]-1-(cyclobutylmethyl)-1-methylurea
CID 56787596
3-[3-(benzimidazol-1-yl)propyl]-1-[(4-fluorophenyl)methyl]-1-methylurea
CID 51274415
N-[3-(benzimidazol-1-yl)propyl]-4-(2,5-dimethylphenyl)-4-oxobutanamide
CID 51221928
3-[3-(benzimidazol-1-yl)propyl]-1-[(2,4-difluorophenyl)methyl]-1-methylurea
CID 134001610
N-[3-(benzimidazol-1-yl)propyl]-3-(3-methylphenyl)propanamide
CID 51277131
N-[3-(benzimidazol-1-yl)propyl]-4-chlorobutanamide
CID 63308679
1-[3-(benzimidazol-1-yl)propyl]-3-(2-methylphenyl)thiourea
CID 8600216
3-(benzimidazol-1-yl)-N-(2,5-dimethylphenyl)propanamide
CID 25349690
N-[3-(benzimidazol-1-yl)propyl]-2,2-dimethylpropanamide
CID 47127030
N-[2-[3-(benzimidazol-1-yl)propylamino]-2-oxoethyl]-3-methylbenzamide
CID 51221897
N-[3-(benzimidazol-1-yl)propyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide
CID 24553388
3-(6-bromo-4-oxoquinazolin-3-yl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide
CID 55512357

Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzimidazol-1-yl)propylcarbamoyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[3-(benzimidazol-1-yl)propylcarbamoyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide (CID 55457371) is 2-[3-(benzimidazol-1-yl)propylcarbamoyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[3-(benzimidazol-1-yl)propylcarbamoyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[3-(benzimidazol-1-yl)propylcarbamoyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)CN(C)C(=O)NCCCn2cnc3ccccc32)c(C)c1.
What is the InChIKey of 2-[3-(benzimidazol-1-yl)propylcarbamoyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is UUWKSEQJBUKDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-16-12-17(2)22(18(3)13-16)26-21(29)14-27(4)23(30)24-10-7-11-28-15-25-19-8-5-6-9-20(19)28/h5-6,8-9,12-13,15H,7,10-11,14H2,1-4H3,(H,24,30)(H,26,29).
What are the key properties of 2-[3-(benzimidazol-1-yl)propylcarbamoyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide?
2-[3-(benzimidazol-1-yl)propylcarbamoyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 407.52 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzimidazol-1-yl)propylcarbamoyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 55457371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).