N-(2-methoxyethyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

C12H19N3O2 — CID 90640345

IUPACN-(2-methoxyethyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESCOCCNC(=O)C1CCc2nc(C)[nH]c2C1
InChIInChI=1S/C12H19N3O2/c1-8-14-10-4-3-9(7-11(10)15-8)12(16)13-5-6-17-2/h9H,3-7H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyXUBVPZGENIHSIO-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.59
Rot. Bonds4

About N-(2-methoxyethyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

N-(2-methoxyethyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (PubChem CID 90640345) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
PubChem CID90640345
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-(2-methoxyethyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESCOCCNC(=O)C1CCc2nc(C)[nH]c2C1
InChIInChI=1S/C12H19N3O2/c1-8-14-10-4-3-9(7-11(10)15-8)12(16)13-5-6-17-2/h9H,3-7H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyXUBVPZGENIHSIO-UHFFFAOYSA-N
XLogP0.59
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (CID 90640345) is N-(2-methoxyethyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is COCCNC(=O)C1CCc2nc(C)[nH]c2C1.
What is the InChIKey of N-(2-methoxyethyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The InChIKey is XUBVPZGENIHSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8-14-10-4-3-9(7-11(10)15-8)12(16)13-5-6-17-2/h9H,3-7H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of N-(2-methoxyethyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
N-(2-methoxyethyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 90640345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).