3H-benzimidazol-5-yl(phenyl)methanone

C14H10N2O — CID 648179

IUPAC3H-benzimidazol-5-yl(phenyl)methanone
SMILESO=C(c1ccccc1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C14H10N2O/c17-14(10-4-2-1-3-5-10)11-6-7-12-13(8-11)16-9-15-12/h1-9H,(H,15,16)
InChIKeyCGVCBANYMPJILL-UHFFFAOYSA-N
MW222.25 g/mol
LogP2.79
Rot. Bonds2

About 3H-benzimidazol-5-yl(phenyl)methanone

3H-benzimidazol-5-yl(phenyl)methanone (PubChem CID 648179) has the molecular formula C14H10N2O and a molecular weight of 222.25 g/mol. Its IUPAC name is 3H-benzimidazol-5-yl(phenyl)methanone.

Molecular Properties

Compound Name3H-benzimidazol-5-yl(phenyl)methanone
PubChem CID648179
Molecular FormulaC14H10N2O
Molecular Weight222.25 g/mol
Exact Mass222.08
IUPAC Name3H-benzimidazol-5-yl(phenyl)methanone
SMILESO=C(c1ccccc1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C14H10N2O/c17-14(10-4-2-1-3-5-10)11-6-7-12-13(8-11)16-9-15-12/h1-9H,(H,15,16)
InChIKeyCGVCBANYMPJILL-UHFFFAOYSA-N
XLogP2.79
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3H-benzimidazol-5-yl(phenyl)methanone?
The IUPAC name of 3H-benzimidazol-5-yl(phenyl)methanone (CID 648179) is 3H-benzimidazol-5-yl(phenyl)methanone.
What is the SMILES notation for 3H-benzimidazol-5-yl(phenyl)methanone?
The canonical SMILES for 3H-benzimidazol-5-yl(phenyl)methanone is O=C(c1ccccc1)c1ccc2nc[nH]c2c1.
What is the InChIKey of 3H-benzimidazol-5-yl(phenyl)methanone?
The InChIKey is CGVCBANYMPJILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O/c17-14(10-4-2-1-3-5-10)11-6-7-12-13(8-11)16-9-15-12/h1-9H,(H,15,16).
What are the key properties of 3H-benzimidazol-5-yl(phenyl)methanone?
3H-benzimidazol-5-yl(phenyl)methanone has a molecular weight of 222.25 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-benzimidazol-5-yl(phenyl)methanone is sourced from PubChem (CID 648179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).