1H-benzimidazol-2-yl(1H-pyrrol-2-yl)methanone

C12H9N3O — CID 70689160

IUPAC1H-benzimidazol-2-yl(1H-pyrrol-2-yl)methanone
SMILESO=C(c1ccc[nH]1)c1nc2ccccc2[nH]1
InChIInChI=1S/C12H9N3O/c16-11(10-6-3-7-13-10)12-14-8-4-1-2-5-9(8)15-12/h1-7,13H,(H,14,15)
InChIKeyWKGKIJSPPFRZEQ-UHFFFAOYSA-N
MW211.22 g/mol
LogP2.12
Rot. Bonds2

About 1H-benzimidazol-2-yl(1H-pyrrol-2-yl)methanone

1H-benzimidazol-2-yl(1H-pyrrol-2-yl)methanone (PubChem CID 70689160) has the molecular formula C12H9N3O and a molecular weight of 211.22 g/mol. Its IUPAC name is 1H-benzimidazol-2-yl(1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name1H-benzimidazol-2-yl(1H-pyrrol-2-yl)methanone
PubChem CID70689160
Molecular FormulaC12H9N3O
Molecular Weight211.22 g/mol
Exact Mass211.07
IUPAC Name1H-benzimidazol-2-yl(1H-pyrrol-2-yl)methanone
SMILESO=C(c1ccc[nH]1)c1nc2ccccc2[nH]1
InChIInChI=1S/C12H9N3O/c16-11(10-6-3-7-13-10)12-14-8-4-1-2-5-9(8)15-12/h1-7,13H,(H,14,15)
InChIKeyWKGKIJSPPFRZEQ-UHFFFAOYSA-N
XLogP2.12
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-yl(1H-pyrrol-2-yl)methanone?
The IUPAC name of 1H-benzimidazol-2-yl(1H-pyrrol-2-yl)methanone (CID 70689160) is 1H-benzimidazol-2-yl(1H-pyrrol-2-yl)methanone.
What is the SMILES notation for 1H-benzimidazol-2-yl(1H-pyrrol-2-yl)methanone?
The canonical SMILES for 1H-benzimidazol-2-yl(1H-pyrrol-2-yl)methanone is O=C(c1ccc[nH]1)c1nc2ccccc2[nH]1.
What is the InChIKey of 1H-benzimidazol-2-yl(1H-pyrrol-2-yl)methanone?
The InChIKey is WKGKIJSPPFRZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O/c16-11(10-6-3-7-13-10)12-14-8-4-1-2-5-9(8)15-12/h1-7,13H,(H,14,15).
What are the key properties of 1H-benzimidazol-2-yl(1H-pyrrol-2-yl)methanone?
1H-benzimidazol-2-yl(1H-pyrrol-2-yl)methanone has a molecular weight of 211.22 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazol-2-yl(1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 70689160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).