cyclohepta[e]benzimidazol-4-ol

C12H8N2O — CID 154336389

IUPACcyclohepta[e]benzimidazol-4-ol
SMILESOc1cc2cccccc2c2ncnc12
InChIInChI=1S/C12H8N2O/c15-10-6-8-4-2-1-3-5-9(8)11-12(10)14-7-13-11/h1-7,15H
InChIKeyCXNJAAZLKXPXDE-UHFFFAOYSA-N
MW196.21 g/mol
LogP2.49
Rot. Bonds

About cyclohepta[e]benzimidazol-4-ol

cyclohepta[e]benzimidazol-4-ol (PubChem CID 154336389) has the molecular formula C12H8N2O and a molecular weight of 196.21 g/mol. Its IUPAC name is cyclohepta[e]benzimidazol-4-ol.

Molecular Properties

Compound Namecyclohepta[e]benzimidazol-4-ol
PubChem CID154336389
Molecular FormulaC12H8N2O
Molecular Weight196.21 g/mol
Exact Mass196.06
IUPAC Namecyclohepta[e]benzimidazol-4-ol
SMILESOc1cc2cccccc2c2ncnc12
InChIInChI=1S/C12H8N2O/c15-10-6-8-4-2-1-3-5-9(8)11-12(10)14-7-13-11/h1-7,15H
InChIKeyCXNJAAZLKXPXDE-UHFFFAOYSA-N
XLogP2.49
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 174684520
1-hydroxybenzo[e]benzotriazol-4-ol
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2-aminonaphthalene-1,3-diol
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methanamine;4-phenylbenzo[h]quinazoline
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sodium naphthalene-2,3-diol
CID 23069442
naphthalene-2,3-diol;titanium
CID 87616563
1-chloro-3-hydroxynaphthalene-2-carboxylic acid
CID 57137470
3-hydroxy-1-phenoxynaphthalene-2-carboxylic acid
CID 101339177
1-(9-benzylpurin-6-yl)naphthalen-2-ol
CID 135912215
ethane;N-phenylbenzo[h]quinazolin-4-amine
CID 91248372
5-phenylnaphthalene-2,3-diol
CID 21407140

Frequently Asked Questions

What is the IUPAC name of cyclohepta[e]benzimidazol-4-ol?
The IUPAC name of cyclohepta[e]benzimidazol-4-ol (CID 154336389) is cyclohepta[e]benzimidazol-4-ol.
What is the SMILES notation for cyclohepta[e]benzimidazol-4-ol?
The canonical SMILES for cyclohepta[e]benzimidazol-4-ol is Oc1cc2cccccc2c2ncnc12.
What is the InChIKey of cyclohepta[e]benzimidazol-4-ol?
The InChIKey is CXNJAAZLKXPXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O/c15-10-6-8-4-2-1-3-5-9(8)11-12(10)14-7-13-11/h1-7,15H.
What are the key properties of cyclohepta[e]benzimidazol-4-ol?
cyclohepta[e]benzimidazol-4-ol has a molecular weight of 196.21 g/mol, XLogP of 2.49, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepta[e]benzimidazol-4-ol is sourced from PubChem (CID 154336389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).