N-cyclopropyl-N-(4-hydroxybutyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide

C16H21N3O3 — CID 109388141

IUPACN-cyclopropyl-N-(4-hydroxybutyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
SMILESO=C(Cn1c(=O)[nH]c2ccccc21)N(CCCCO)C1CC1
InChIInChI=1S/C16H21N3O3/c20-10-4-3-9-18(12-7-8-12)15(21)11-19-14-6-2-1-5-13(14)17-16(19)22/h1-2,5-6,12,20H,3-4,7-11H2,(H,17,22)
InChIKeyJQRUNIBPBXMRNT-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.09
Rot. Bonds7

About N-cyclopropyl-N-(4-hydroxybutyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide

N-cyclopropyl-N-(4-hydroxybutyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide (PubChem CID 109388141) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-cyclopropyl-N-(4-hydroxybutyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(4-hydroxybutyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
PubChem CID109388141
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-cyclopropyl-N-(4-hydroxybutyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
SMILESO=C(Cn1c(=O)[nH]c2ccccc21)N(CCCCO)C1CC1
InChIInChI=1S/C16H21N3O3/c20-10-4-3-9-18(12-7-8-12)15(21)11-19-14-6-2-1-5-13(14)17-16(19)22/h1-2,5-6,12,20H,3-4,7-11H2,(H,17,22)
InChIKeyJQRUNIBPBXMRNT-UHFFFAOYSA-N
XLogP1.09
TPSA78.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.09
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-cyclopropyl-N-(4-hydroxybutyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide?
The IUPAC name of N-cyclopropyl-N-(4-hydroxybutyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide (CID 109388141) is N-cyclopropyl-N-(4-hydroxybutyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide.
What is the SMILES notation for N-cyclopropyl-N-(4-hydroxybutyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide?
The canonical SMILES for N-cyclopropyl-N-(4-hydroxybutyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide is O=C(Cn1c(=O)[nH]c2ccccc21)N(CCCCO)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(4-hydroxybutyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide?
The InChIKey is JQRUNIBPBXMRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c20-10-4-3-9-18(12-7-8-12)15(21)11-19-14-6-2-1-5-13(14)17-16(19)22/h1-2,5-6,12,20H,3-4,7-11H2,(H,17,22).
What are the key properties of N-cyclopropyl-N-(4-hydroxybutyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide?
N-cyclopropyl-N-(4-hydroxybutyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide has a molecular weight of 303.36 g/mol, XLogP of 1.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(4-hydroxybutyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide is sourced from PubChem (CID 109388141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).