2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-(2-methoxyethyl)acetamide

C14H19N3O3 — CID 110772244

IUPAC2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cc1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C14H19N3O3/c1-16-11-5-4-10(8-12(11)17(2)14(16)19)9-13(18)15-6-7-20-3/h4-5,8H,6-7,9H2,1-3H3,(H,15,18)
InChIKeyQTZQFJJTUNYLAG-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.18
Rot. Bonds5

About 2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-(2-methoxyethyl)acetamide

2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-(2-methoxyethyl)acetamide (PubChem CID 110772244) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-(2-methoxyethyl)acetamide
PubChem CID110772244
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cc1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C14H19N3O3/c1-16-11-5-4-10(8-12(11)17(2)14(16)19)9-13(18)15-6-7-20-3/h4-5,8H,6-7,9H2,1-3H3,(H,15,18)
InChIKeyQTZQFJJTUNYLAG-UHFFFAOYSA-N
XLogP0.18
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.18
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

(2S)-2-cyano-3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-(2-methoxyethyl)propanamide
CID 52900898
2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-(3,5-dimethylphenyl)acetamide
CID 110772303
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-4-methoxybenzamide
CID 110785359
N-(2-methoxyethyl)-2-(4-methoxy-3-propan-2-ylphenyl)acetamide
CID 110767573
1-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-3-propylurea
CID 110775432
N-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)ethyl]-4-fluorobenzamide
CID 110791278
2-(3-chloro-4-methoxyphenyl)-N-(2-methoxyethyl)acetamide
CID 110767026
N-(3-acetylphenyl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide
CID 110772327
2-[6-(hydroxymethyl)indol-1-yl]-N-(2-methoxyethyl)acetamide
CID 102913025
N-(2-methoxyethyl)-2-(4-phenylphenyl)acetamide
CID 2094675
N-(2-methoxyethyl)-2-[4-(2-methylpropyl)phenyl]acetamide
CID 78814646
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-3,4,5-triethoxybenzamide
CID 5305578

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-(2-methoxyethyl)acetamide (CID 110772244) is 2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-(2-methoxyethyl)acetamide is COCCNC(=O)Cc1ccc2c(c1)n(C)c(=O)n2C.
What is the InChIKey of 2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-(2-methoxyethyl)acetamide?
The InChIKey is QTZQFJJTUNYLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-16-11-5-4-10(8-12(11)17(2)14(16)19)9-13(18)15-6-7-20-3/h4-5,8H,6-7,9H2,1-3H3,(H,15,18).
What are the key properties of 2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-(2-methoxyethyl)acetamide?
2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-(2-methoxyethyl)acetamide has a molecular weight of 277.32 g/mol, XLogP of 0.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 110772244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).