N-(2-methoxyethyl)-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide

C12H19N3O2 — CID 115944319

IUPACN-(2-methoxyethyl)-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide
SMILESCOCCNC(=O)Cn1cnc2c1CCCC2
InChIInChI=1S/C12H19N3O2/c1-17-7-6-13-12(16)8-15-9-14-10-4-2-3-5-11(10)15/h9H,2-8H2,1H3,(H,13,16)
InChIKeyANPNBYXYHORINS-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.52
Rot. Bonds5

About N-(2-methoxyethyl)-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide

N-(2-methoxyethyl)-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide (PubChem CID 115944319) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide
PubChem CID115944319
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-(2-methoxyethyl)-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide
SMILESCOCCNC(=O)Cn1cnc2c1CCCC2
InChIInChI=1S/C12H19N3O2/c1-17-7-6-13-12(16)8-15-9-14-10-4-2-3-5-11(10)15/h9H,2-8H2,1H3,(H,13,16)
InChIKeyANPNBYXYHORINS-UHFFFAOYSA-N
XLogP0.52
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide
CID 146078367
N-carbamoyl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide
CID 116626262
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4,5,6,7-tetrahydrobenzimidazole
CID 116626321
2-(4-chloro-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide
CID 114582039
2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide
CID 114583334
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methoxyethyl)acetamide
CID 7886604
2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-N-(2-methoxyethyl)acetamide
CID 113231442
N-(2-fluorophenyl)-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide
CID 115963996
1-(azepan-1-yl)-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)ethanone
CID 115944318
N-(2-methoxyethyl)-2-(2-oxo-1H-imidazol-3-yl)acetamide
CID 103125914
N-[2-(2-methoxyethoxy)ethyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78874251
N-(2-methoxyethyl)-2-(4-methylpyrazol-1-yl)acetamide
CID 19526602

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide (CID 115944319) is N-(2-methoxyethyl)-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide is COCCNC(=O)Cn1cnc2c1CCCC2.
What is the InChIKey of N-(2-methoxyethyl)-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide?
The InChIKey is ANPNBYXYHORINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-17-7-6-13-12(16)8-15-9-14-10-4-2-3-5-11(10)15/h9H,2-8H2,1H3,(H,13,16).
What are the key properties of N-(2-methoxyethyl)-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide?
N-(2-methoxyethyl)-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide has a molecular weight of 237.30 g/mol, XLogP of 0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide is sourced from PubChem (CID 115944319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).