1-(2-ethoxyethyl)-N,N-diethyl-2-oxo-3H-benzimidazole-5-carboxamide

C16H23N3O3 — CID 70752092

IUPAC1-(2-ethoxyethyl)-N,N-diethyl-2-oxo-3H-benzimidazole-5-carboxamide
SMILESCCOCCn1c(=O)[nH]c2cc(C(=O)N(CC)CC)ccc21
InChIInChI=1S/C16H23N3O3/c1-4-18(5-2)15(20)12-7-8-14-13(11-12)17-16(21)19(14)9-10-22-6-3/h7-8,11H,4-6,9-10H2,1-3H3,(H,17,21)
InChIKeyJXXPLHSHQUCIJV-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.85
Rot. Bonds7

About 1-(2-ethoxyethyl)-N,N-diethyl-2-oxo-3H-benzimidazole-5-carboxamide

1-(2-ethoxyethyl)-N,N-diethyl-2-oxo-3H-benzimidazole-5-carboxamide (PubChem CID 70752092) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-N,N-diethyl-2-oxo-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-N,N-diethyl-2-oxo-3H-benzimidazole-5-carboxamide
PubChem CID70752092
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name1-(2-ethoxyethyl)-N,N-diethyl-2-oxo-3H-benzimidazole-5-carboxamide
SMILESCCOCCn1c(=O)[nH]c2cc(C(=O)N(CC)CC)ccc21
InChIInChI=1S/C16H23N3O3/c1-4-18(5-2)15(20)12-7-8-14-13(11-12)17-16(21)19(14)9-10-22-6-3/h7-8,11H,4-6,9-10H2,1-3H3,(H,17,21)
InChIKeyJXXPLHSHQUCIJV-UHFFFAOYSA-N
XLogP1.85
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.85
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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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-N,N-diethyl-2-oxo-3H-benzimidazole-5-carboxamide?
The IUPAC name of 1-(2-ethoxyethyl)-N,N-diethyl-2-oxo-3H-benzimidazole-5-carboxamide (CID 70752092) is 1-(2-ethoxyethyl)-N,N-diethyl-2-oxo-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 1-(2-ethoxyethyl)-N,N-diethyl-2-oxo-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 1-(2-ethoxyethyl)-N,N-diethyl-2-oxo-3H-benzimidazole-5-carboxamide is CCOCCn1c(=O)[nH]c2cc(C(=O)N(CC)CC)ccc21.
What is the InChIKey of 1-(2-ethoxyethyl)-N,N-diethyl-2-oxo-3H-benzimidazole-5-carboxamide?
The InChIKey is JXXPLHSHQUCIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-4-18(5-2)15(20)12-7-8-14-13(11-12)17-16(21)19(14)9-10-22-6-3/h7-8,11H,4-6,9-10H2,1-3H3,(H,17,21).
What are the key properties of 1-(2-ethoxyethyl)-N,N-diethyl-2-oxo-3H-benzimidazole-5-carboxamide?
1-(2-ethoxyethyl)-N,N-diethyl-2-oxo-3H-benzimidazole-5-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-N,N-diethyl-2-oxo-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 70752092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).