2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide

C23H36N4O3 — CID 16981382

IUPAC2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide
SMILESCOCC(=O)NCCCc1nc2ccccc2n1CC(=O)N(CC(C)C)CC(C)C
InChIInChI=1S/C23H36N4O3/c1-17(2)13-26(14-18(3)4)23(29)15-27-20-10-7-6-9-19(20)25-21(27)11-8-12-24-22(28)16-30-5/h6-7,9-10,17-18H,8,11-16H2,1-5H3,(H,24,28)
InChIKeyKBIWEGZCZHUYTL-UHFFFAOYSA-N
MW416.57 g/mol
LogP2.87
Rot. Bonds12

About 2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide

2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide (PubChem CID 16981382) has the molecular formula C23H36N4O3 and a molecular weight of 416.57 g/mol. Its IUPAC name is 2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide
PubChem CID16981382
Molecular FormulaC23H36N4O3
Molecular Weight416.57 g/mol
Exact Mass416.28
IUPAC Name2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide
SMILESCOCC(=O)NCCCc1nc2ccccc2n1CC(=O)N(CC(C)C)CC(C)C
InChIInChI=1S/C23H36N4O3/c1-17(2)13-26(14-18(3)4)23(29)15-27-20-10-7-6-9-19(20)25-21(27)11-8-12-24-22(28)16-30-5/h6-7,9-10,17-18H,8,11-16H2,1-5H3,(H,24,28)
InChIKeyKBIWEGZCZHUYTL-UHFFFAOYSA-N
XLogP2.87
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]propanamide
CID 16988106
N-[3-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]prop-2-enamide
CID 16986831
N-[5-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-3-phenylpropanamide
CID 16992642
N-[3-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methylbenzamide
CID 16982475
N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16979038
2-[2-[5-[(2-methoxyacetyl)amino]pentyl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 16988433
N-[5-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide
CID 16991346
N-[5-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-2-methylprop-2-enamide
CID 16992480
2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N-(1-phenylethyl)acetamide
CID 17031181
N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide
CID 16979200
2-methoxy-N-[3-[1-(2-methoxyethyl)benzimidazol-2-yl]propyl]acetamide
CID 16981376
N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-ethylbutanamide
CID 16974826

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide?
The IUPAC name of 2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide (CID 16981382) is 2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide?
The canonical SMILES for 2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide is COCC(=O)NCCCc1nc2ccccc2n1CC(=O)N(CC(C)C)CC(C)C.
What is the InChIKey of 2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide?
The InChIKey is KBIWEGZCZHUYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O3/c1-17(2)13-26(14-18(3)4)23(29)15-27-20-10-7-6-9-19(20)25-21(27)11-8-12-24-22(28)16-30-5/h6-7,9-10,17-18H,8,11-16H2,1-5H3,(H,24,28).
What are the key properties of 2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide?
2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide has a molecular weight of 416.57 g/mol, XLogP of 2.87, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide is sourced from PubChem (CID 16981382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).