1-ethyl-3-[[1-(4-hydroxybutyl)benzimidazol-2-yl]methyl]benzimidazol-2-one

C21H24N4O2 — CID 11187646

IUPAC1-ethyl-3-[[1-(4-hydroxybutyl)benzimidazol-2-yl]methyl]benzimidazol-2-one
SMILESCCn1c(=O)n(Cc2nc3ccccc3n2CCCCO)c2ccccc21
InChIInChI=1S/C21H24N4O2/c1-2-23-18-11-5-6-12-19(18)25(21(23)27)15-20-22-16-9-3-4-10-17(16)24(20)13-7-8-14-26/h3-6,9-12,26H,2,7-8,13-15H2,1H3
InChIKeyUWTNNSBXJGPMHX-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.99
Rot. Bonds7

About 1-ethyl-3-[[1-(4-hydroxybutyl)benzimidazol-2-yl]methyl]benzimidazol-2-one

1-ethyl-3-[[1-(4-hydroxybutyl)benzimidazol-2-yl]methyl]benzimidazol-2-one (PubChem CID 11187646) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-ethyl-3-[[1-(4-hydroxybutyl)benzimidazol-2-yl]methyl]benzimidazol-2-one.

Molecular Properties

Compound Name1-ethyl-3-[[1-(4-hydroxybutyl)benzimidazol-2-yl]methyl]benzimidazol-2-one
PubChem CID11187646
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name1-ethyl-3-[[1-(4-hydroxybutyl)benzimidazol-2-yl]methyl]benzimidazol-2-one
SMILESCCn1c(=O)n(Cc2nc3ccccc3n2CCCCO)c2ccccc21
InChIInChI=1S/C21H24N4O2/c1-2-23-18-11-5-6-12-19(18)25(21(23)27)15-20-22-16-9-3-4-10-17(16)24(20)13-7-8-14-26/h3-6,9-12,26H,2,7-8,13-15H2,1H3
InChIKeyUWTNNSBXJGPMHX-UHFFFAOYSA-N
XLogP2.99
TPSA64.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-ethyl-3-[[1-(4-hydroxybutyl)benzimidazol-2-yl]methyl]benzimidazol-2-one?
The IUPAC name of 1-ethyl-3-[[1-(4-hydroxybutyl)benzimidazol-2-yl]methyl]benzimidazol-2-one (CID 11187646) is 1-ethyl-3-[[1-(4-hydroxybutyl)benzimidazol-2-yl]methyl]benzimidazol-2-one.
What is the SMILES notation for 1-ethyl-3-[[1-(4-hydroxybutyl)benzimidazol-2-yl]methyl]benzimidazol-2-one?
The canonical SMILES for 1-ethyl-3-[[1-(4-hydroxybutyl)benzimidazol-2-yl]methyl]benzimidazol-2-one is CCn1c(=O)n(Cc2nc3ccccc3n2CCCCO)c2ccccc21.
What is the InChIKey of 1-ethyl-3-[[1-(4-hydroxybutyl)benzimidazol-2-yl]methyl]benzimidazol-2-one?
The InChIKey is UWTNNSBXJGPMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-2-23-18-11-5-6-12-19(18)25(21(23)27)15-20-22-16-9-3-4-10-17(16)24(20)13-7-8-14-26/h3-6,9-12,26H,2,7-8,13-15H2,1H3.
What are the key properties of 1-ethyl-3-[[1-(4-hydroxybutyl)benzimidazol-2-yl]methyl]benzimidazol-2-one?
1-ethyl-3-[[1-(4-hydroxybutyl)benzimidazol-2-yl]methyl]benzimidazol-2-one has a molecular weight of 364.45 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[[1-(4-hydroxybutyl)benzimidazol-2-yl]methyl]benzimidazol-2-one is sourced from PubChem (CID 11187646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).