N-ethyl-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[[(3R)-oxolan-3-yl]methyl]acetamide

C17H23N3O3 — CID 94178668

IUPACN-ethyl-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[[(3R)-oxolan-3-yl]methyl]acetamide
SMILESCCN(C[C@H]1CCOC1)C(=O)Cn1c(=O)n(C)c2ccccc21
InChIInChI=1S/C17H23N3O3/c1-3-19(10-13-8-9-23-12-13)16(21)11-20-15-7-5-4-6-14(15)18(2)17(20)22/h4-7,13H,3,8-12H2,1-2H3/t13-/m1/s1
InChIKeyYKXSSNXCJQGLTQ-CYBMUJFWSA-N
MW317.39 g/mol
LogP1.23
Rot. Bonds5

About N-ethyl-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[[(3R)-oxolan-3-yl]methyl]acetamide

N-ethyl-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[[(3R)-oxolan-3-yl]methyl]acetamide (PubChem CID 94178668) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-ethyl-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[[(3R)-oxolan-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[[(3R)-oxolan-3-yl]methyl]acetamide
PubChem CID94178668
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-ethyl-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[[(3R)-oxolan-3-yl]methyl]acetamide
SMILESCCN(C[C@H]1CCOC1)C(=O)Cn1c(=O)n(C)c2ccccc21
InChIInChI=1S/C17H23N3O3/c1-3-19(10-13-8-9-23-12-13)16(21)11-20-15-7-5-4-6-14(15)18(2)17(20)22/h4-7,13H,3,8-12H2,1-2H3/t13-/m1/s1
InChIKeyYKXSSNXCJQGLTQ-CYBMUJFWSA-N
XLogP1.23
TPSA56.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[[(3R)-oxolan-3-yl]methyl]acetamide?
The IUPAC name of N-ethyl-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[[(3R)-oxolan-3-yl]methyl]acetamide (CID 94178668) is N-ethyl-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[[(3R)-oxolan-3-yl]methyl]acetamide.
What is the SMILES notation for N-ethyl-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[[(3R)-oxolan-3-yl]methyl]acetamide?
The canonical SMILES for N-ethyl-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[[(3R)-oxolan-3-yl]methyl]acetamide is CCN(C[C@H]1CCOC1)C(=O)Cn1c(=O)n(C)c2ccccc21.
What is the InChIKey of N-ethyl-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[[(3R)-oxolan-3-yl]methyl]acetamide?
The InChIKey is YKXSSNXCJQGLTQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-3-19(10-13-8-9-23-12-13)16(21)11-20-15-7-5-4-6-14(15)18(2)17(20)22/h4-7,13H,3,8-12H2,1-2H3/t13-/m1/s1.
What are the key properties of N-ethyl-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[[(3R)-oxolan-3-yl]methyl]acetamide?
N-ethyl-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[[(3R)-oxolan-3-yl]methyl]acetamide has a molecular weight of 317.39 g/mol, XLogP of 1.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[[(3R)-oxolan-3-yl]methyl]acetamide is sourced from PubChem (CID 94178668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).