N-(2-ethoxyethyl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide

C17H28N4O2 — CID 128983417

IUPACN-(2-ethoxyethyl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide
SMILESCCOCCNC(=O)CN1CCCC1c1nc2c([nH]1)CCCC2
InChIInChI=1S/C17H28N4O2/c1-2-23-11-9-18-16(22)12-21-10-5-8-15(21)17-19-13-6-3-4-7-14(13)20-17/h15H,2-12H2,1H3,(H,18,22)(H,19,20)
InChIKeyLGHFGJYVKSFENH-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.58
Rot. Bonds7

About N-(2-ethoxyethyl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide

N-(2-ethoxyethyl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide (PubChem CID 128983417) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide
PubChem CID128983417
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC NameN-(2-ethoxyethyl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide
SMILESCCOCCNC(=O)CN1CCCC1c1nc2c([nH]1)CCCC2
InChIInChI=1S/C17H28N4O2/c1-2-23-11-9-18-16(22)12-21-10-5-8-15(21)17-19-13-6-3-4-7-14(13)20-17/h15H,2-12H2,1H3,(H,18,22)(H,19,20)
InChIKeyLGHFGJYVKSFENH-UHFFFAOYSA-N
XLogP1.58
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.58
H-Bond Donors ≤ 52
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 N-(2-ethoxyethyl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(2-ethoxyethyl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide (CID 128983417) is N-(2-ethoxyethyl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(2-ethoxyethyl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(2-ethoxyethyl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide is CCOCCNC(=O)CN1CCCC1c1nc2c([nH]1)CCCC2.
What is the InChIKey of N-(2-ethoxyethyl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide?
The InChIKey is LGHFGJYVKSFENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-2-23-11-9-18-16(22)12-21-10-5-8-15(21)17-19-13-6-3-4-7-14(13)20-17/h15H,2-12H2,1H3,(H,18,22)(H,19,20).
What are the key properties of N-(2-ethoxyethyl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide?
N-(2-ethoxyethyl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide has a molecular weight of 320.44 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 128983417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).