6-ethoxy-2-phenyl-1H-benzimidazole

C15H14N2O — CID 648054

IUPAC6-ethoxy-2-phenyl-1H-benzimidazole
SMILESCCOc1ccc2nc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C15H14N2O/c1-2-18-12-8-9-13-14(10-12)17-15(16-13)11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H,16,17)
InChIKeyHNDBTGRZKRHNHB-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.63
Rot. Bonds3

About 6-ethoxy-2-phenyl-1H-benzimidazole

6-ethoxy-2-phenyl-1H-benzimidazole (PubChem CID 648054) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 6-ethoxy-2-phenyl-1H-benzimidazole.

Molecular Properties

Compound Name6-ethoxy-2-phenyl-1H-benzimidazole
PubChem CID648054
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name6-ethoxy-2-phenyl-1H-benzimidazole
SMILESCCOc1ccc2nc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C15H14N2O/c1-2-18-12-8-9-13-14(10-12)17-15(16-13)11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H,16,17)
InChIKeyHNDBTGRZKRHNHB-UHFFFAOYSA-N
XLogP3.63
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-phenyl-1H-benzimidazole?
The IUPAC name of 6-ethoxy-2-phenyl-1H-benzimidazole (CID 648054) is 6-ethoxy-2-phenyl-1H-benzimidazole.
What is the SMILES notation for 6-ethoxy-2-phenyl-1H-benzimidazole?
The canonical SMILES for 6-ethoxy-2-phenyl-1H-benzimidazole is CCOc1ccc2nc(-c3ccccc3)[nH]c2c1.
What is the InChIKey of 6-ethoxy-2-phenyl-1H-benzimidazole?
The InChIKey is HNDBTGRZKRHNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-2-18-12-8-9-13-14(10-12)17-15(16-13)11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H,16,17).
What are the key properties of 6-ethoxy-2-phenyl-1H-benzimidazole?
6-ethoxy-2-phenyl-1H-benzimidazole has a molecular weight of 238.29 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-phenyl-1H-benzimidazole is sourced from PubChem (CID 648054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).