N-butyl-N-ethyl-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide

C17H25N3O2 — CID 134031593

IUPACN-butyl-N-ethyl-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
SMILESCCCCN(CC)C(=O)Cn1c(=O)n(CC)c2ccccc21
InChIInChI=1S/C17H25N3O2/c1-4-7-12-18(5-2)16(21)13-20-15-11-9-8-10-14(15)19(6-3)17(20)22/h8-11H,4-7,12-13H2,1-3H3
InChIKeyHFQPUWYWGHACHO-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.47
Rot. Bonds7

About N-butyl-N-ethyl-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide

N-butyl-N-ethyl-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide (PubChem CID 134031593) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-butyl-N-ethyl-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-butyl-N-ethyl-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
PubChem CID134031593
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-butyl-N-ethyl-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
SMILESCCCCN(CC)C(=O)Cn1c(=O)n(CC)c2ccccc21
InChIInChI=1S/C17H25N3O2/c1-4-7-12-18(5-2)16(21)13-20-15-11-9-8-10-14(15)19(6-3)17(20)22/h8-11H,4-7,12-13H2,1-3H3
InChIKeyHFQPUWYWGHACHO-UHFFFAOYSA-N
XLogP2.47
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide?
The IUPAC name of N-butyl-N-ethyl-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide (CID 134031593) is N-butyl-N-ethyl-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-butyl-N-ethyl-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide?
The canonical SMILES for N-butyl-N-ethyl-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide is CCCCN(CC)C(=O)Cn1c(=O)n(CC)c2ccccc21.
What is the InChIKey of N-butyl-N-ethyl-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide?
The InChIKey is HFQPUWYWGHACHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-4-7-12-18(5-2)16(21)13-20-15-11-9-8-10-14(15)19(6-3)17(20)22/h8-11H,4-7,12-13H2,1-3H3.
What are the key properties of N-butyl-N-ethyl-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide?
N-butyl-N-ethyl-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide has a molecular weight of 303.41 g/mol, XLogP of 2.47, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide is sourced from PubChem (CID 134031593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).