2-(1H-benzimidazol-2-yl)benzoate;copper(1+)

C14H9CuN2O2 — CID 174857588

IUPAC2-(1H-benzimidazol-2-yl)benzoate;copper(1+)
SMILESO=C([O-])c1ccccc1-c1nc2ccccc2[nH]1.[Cu+]
InChIInChI=1S/C14H10N2O2.Cu/c17-14(18)10-6-2-1-5-9(10)13-15-11-7-3-4-8-12(11)16-13;/h1-8H,(H,15,16)(H,17,18);/q;+1/p-1
InChIKeyOGAIYIPXAKODKA-UHFFFAOYSA-M
MW300.78 g/mol
LogP1.59
Rot. Bonds2

About 2-(1H-benzimidazol-2-yl)benzoate;copper(1+)

2-(1H-benzimidazol-2-yl)benzoate;copper(1+) (PubChem CID 174857588) has the molecular formula C14H9CuN2O2 and a molecular weight of 300.78 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)benzoate;copper(1+).

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)benzoate;copper(1+)
PubChem CID174857588
Molecular FormulaC14H9CuN2O2
Molecular Weight300.78 g/mol
Exact Mass300.00
IUPAC Name2-(1H-benzimidazol-2-yl)benzoate;copper(1+)
SMILESO=C([O-])c1ccccc1-c1nc2ccccc2[nH]1.[Cu+]
InChIInChI=1S/C14H10N2O2.Cu/c17-14(18)10-6-2-1-5-9(10)13-15-11-7-3-4-8-12(11)16-13;/h1-8H,(H,15,16)(H,17,18);/q;+1/p-1
InChIKeyOGAIYIPXAKODKA-UHFFFAOYSA-M
XLogP1.59
TPSA68.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.78
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 23510026
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[2-(1H-benzimidazol-2-yl)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 4915258
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N-[2-(1H-benzimidazol-2-yl)phenyl]acetamide
CID 5137262
2,6-bis(1H-benzimidazol-2-yl)-4-[3,5-bis(1H-benzimidazol-2-yl)-4-hydroxyphenyl]phenol
CID 139797671
2-(1H-benzimidazol-2-yl)-6-fluorophenol
CID 168553450
3-(1H-benzimidazol-2-yl)-2-methoxy-N-methylbenzamide
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Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)benzoate;copper(1+)?
The IUPAC name of 2-(1H-benzimidazol-2-yl)benzoate;copper(1+) (CID 174857588) is 2-(1H-benzimidazol-2-yl)benzoate;copper(1+).
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)benzoate;copper(1+)?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)benzoate;copper(1+) is O=C([O-])c1ccccc1-c1nc2ccccc2[nH]1.[Cu+].
What is the InChIKey of 2-(1H-benzimidazol-2-yl)benzoate;copper(1+)?
The InChIKey is OGAIYIPXAKODKA-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H10N2O2.Cu/c17-14(18)10-6-2-1-5-9(10)13-15-11-7-3-4-8-12(11)16-13;/h1-8H,(H,15,16)(H,17,18);/q;+1/p-1.
What are the key properties of 2-(1H-benzimidazol-2-yl)benzoate;copper(1+)?
2-(1H-benzimidazol-2-yl)benzoate;copper(1+) has a molecular weight of 300.78 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)benzoate;copper(1+) is sourced from PubChem (CID 174857588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).