4-(2-ethoxyethyl)-1H-benzimidazole

C11H14N2O — CID 140989895

IUPAC4-(2-ethoxyethyl)-1H-benzimidazole
SMILESCCOCCc1cccc2[nH]cnc12
InChIInChI=1S/C11H14N2O/c1-2-14-7-6-9-4-3-5-10-11(9)13-8-12-10/h3-5,8H,2,6-7H2,1H3,(H,12,13)
InChIKeyXFYCFCGNOOFVHO-UHFFFAOYSA-N
MW190.25 g/mol
LogP2.14
Rot. Bonds4

About 4-(2-ethoxyethyl)-1H-benzimidazole

4-(2-ethoxyethyl)-1H-benzimidazole (PubChem CID 140989895) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 4-(2-ethoxyethyl)-1H-benzimidazole.

Molecular Properties

Compound Name4-(2-ethoxyethyl)-1H-benzimidazole
PubChem CID140989895
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name4-(2-ethoxyethyl)-1H-benzimidazole
SMILESCCOCCc1cccc2[nH]cnc12
InChIInChI=1S/C11H14N2O/c1-2-14-7-6-9-4-3-5-10-11(9)13-8-12-10/h3-5,8H,2,6-7H2,1H3,(H,12,13)
InChIKeyXFYCFCGNOOFVHO-UHFFFAOYSA-N
XLogP2.14
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 4-(2-ethoxyethyl)-1H-benzimidazole?
The IUPAC name of 4-(2-ethoxyethyl)-1H-benzimidazole (CID 140989895) is 4-(2-ethoxyethyl)-1H-benzimidazole.
What is the SMILES notation for 4-(2-ethoxyethyl)-1H-benzimidazole?
The canonical SMILES for 4-(2-ethoxyethyl)-1H-benzimidazole is CCOCCc1cccc2[nH]cnc12.
What is the InChIKey of 4-(2-ethoxyethyl)-1H-benzimidazole?
The InChIKey is XFYCFCGNOOFVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-2-14-7-6-9-4-3-5-10-11(9)13-8-12-10/h3-5,8H,2,6-7H2,1H3,(H,12,13).
What are the key properties of 4-(2-ethoxyethyl)-1H-benzimidazole?
4-(2-ethoxyethyl)-1H-benzimidazole has a molecular weight of 190.25 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyethyl)-1H-benzimidazole is sourced from PubChem (CID 140989895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).