1,3-dihydrobenzimidazol-2-one;zinc

C7H6N2OZn — CID 174871541

IUPAC1,3-dihydrobenzimidazol-2-one;zinc
SMILESO=c1[nH]c2ccccc2[nH]1.[Zn]
InChIInChI=1S/C7H6N2O.Zn/c10-7-8-5-3-1-2-4-6(5)9-7;/h1-4H,(H2,8,9,10);
InChIKeyCKAKFCOESNWOKA-UHFFFAOYSA-N
MW199.53 g/mol
LogP0.85
Rot. Bonds

About 1,3-dihydrobenzimidazol-2-one;zinc

1,3-dihydrobenzimidazol-2-one;zinc (PubChem CID 174871541) has the molecular formula C7H6N2OZn and a molecular weight of 199.53 g/mol. Its IUPAC name is 1,3-dihydrobenzimidazol-2-one;zinc.

Molecular Properties

Compound Name1,3-dihydrobenzimidazol-2-one;zinc
PubChem CID174871541
Molecular FormulaC7H6N2OZn
Molecular Weight199.53 g/mol
Exact Mass197.98
IUPAC Name1,3-dihydrobenzimidazol-2-one;zinc
SMILESO=c1[nH]c2ccccc2[nH]1.[Zn]
InChIInChI=1S/C7H6N2O.Zn/c10-7-8-5-3-1-2-4-6(5)9-7;/h1-4H,(H2,8,9,10);
InChIKeyCKAKFCOESNWOKA-UHFFFAOYSA-N
XLogP0.85
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.53
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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CID 10638837
5-benzoyl-1,3-dihydrobenzimidazol-2-one
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Frequently Asked Questions

What is the IUPAC name of 1,3-dihydrobenzimidazol-2-one;zinc?
The IUPAC name of 1,3-dihydrobenzimidazol-2-one;zinc (CID 174871541) is 1,3-dihydrobenzimidazol-2-one;zinc.
What is the SMILES notation for 1,3-dihydrobenzimidazol-2-one;zinc?
The canonical SMILES for 1,3-dihydrobenzimidazol-2-one;zinc is O=c1[nH]c2ccccc2[nH]1.[Zn].
What is the InChIKey of 1,3-dihydrobenzimidazol-2-one;zinc?
The InChIKey is CKAKFCOESNWOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O.Zn/c10-7-8-5-3-1-2-4-6(5)9-7;/h1-4H,(H2,8,9,10);.
What are the key properties of 1,3-dihydrobenzimidazol-2-one;zinc?
1,3-dihydrobenzimidazol-2-one;zinc has a molecular weight of 199.53 g/mol, XLogP of 0.85, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydrobenzimidazol-2-one;zinc is sourced from PubChem (CID 174871541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).