imidazol-1-yl-(2-phenyl-1H-benzimidazol-4-yl)methanone

C17H12N4O — CID 69453516

IUPACimidazol-1-yl-(2-phenyl-1H-benzimidazol-4-yl)methanone
SMILESO=C(c1cccc2[nH]c(-c3ccccc3)nc12)n1ccnc1
InChIInChI=1S/C17H12N4O/c22-17(21-10-9-18-11-21)13-7-4-8-14-15(13)20-16(19-14)12-5-2-1-3-6-12/h1-11H,(H,19,20)
InChIKeyLYKQUMLWIDUTQE-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.11
Rot. Bonds2

About imidazol-1-yl-(2-phenyl-1H-benzimidazol-4-yl)methanone

imidazol-1-yl-(2-phenyl-1H-benzimidazol-4-yl)methanone (PubChem CID 69453516) has the molecular formula C17H12N4O and a molecular weight of 288.31 g/mol. Its IUPAC name is imidazol-1-yl-(2-phenyl-1H-benzimidazol-4-yl)methanone.

Molecular Properties

Compound Nameimidazol-1-yl-(2-phenyl-1H-benzimidazol-4-yl)methanone
PubChem CID69453516
Molecular FormulaC17H12N4O
Molecular Weight288.31 g/mol
Exact Mass288.10
IUPAC Nameimidazol-1-yl-(2-phenyl-1H-benzimidazol-4-yl)methanone
SMILESO=C(c1cccc2[nH]c(-c3ccccc3)nc12)n1ccnc1
InChIInChI=1S/C17H12N4O/c22-17(21-10-9-18-11-21)13-7-4-8-14-15(13)20-16(19-14)12-5-2-1-3-6-12/h1-11H,(H,19,20)
InChIKeyLYKQUMLWIDUTQE-UHFFFAOYSA-N
XLogP3.11
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of imidazol-1-yl-(2-phenyl-1H-benzimidazol-4-yl)methanone?
The IUPAC name of imidazol-1-yl-(2-phenyl-1H-benzimidazol-4-yl)methanone (CID 69453516) is imidazol-1-yl-(2-phenyl-1H-benzimidazol-4-yl)methanone.
What is the SMILES notation for imidazol-1-yl-(2-phenyl-1H-benzimidazol-4-yl)methanone?
The canonical SMILES for imidazol-1-yl-(2-phenyl-1H-benzimidazol-4-yl)methanone is O=C(c1cccc2[nH]c(-c3ccccc3)nc12)n1ccnc1.
What is the InChIKey of imidazol-1-yl-(2-phenyl-1H-benzimidazol-4-yl)methanone?
The InChIKey is LYKQUMLWIDUTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O/c22-17(21-10-9-18-11-21)13-7-4-8-14-15(13)20-16(19-14)12-5-2-1-3-6-12/h1-11H,(H,19,20).
What are the key properties of imidazol-1-yl-(2-phenyl-1H-benzimidazol-4-yl)methanone?
imidazol-1-yl-(2-phenyl-1H-benzimidazol-4-yl)methanone has a molecular weight of 288.31 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for imidazol-1-yl-(2-phenyl-1H-benzimidazol-4-yl)methanone is sourced from PubChem (CID 69453516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).