3-(benzimidazol-2-ylidenemethyl)-1H-indol-2-ol

C16H11N3O — CID 135483378

IUPAC3-(benzimidazol-2-ylidenemethyl)-1H-indol-2-ol
SMILESOc1[nH]c2ccccc2c1C=C1N=c2ccccc2=N1
InChIInChI=1S/C16H11N3O/c20-16-11(10-5-1-2-6-12(10)19-16)9-15-17-13-7-3-4-8-14(13)18-15/h1-9,19-20H
InChIKeyXIDMMFFODMQBJQ-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.12
Rot. Bonds1

About 3-(benzimidazol-2-ylidenemethyl)-1H-indol-2-ol

3-(benzimidazol-2-ylidenemethyl)-1H-indol-2-ol (PubChem CID 135483378) has the molecular formula C16H11N3O and a molecular weight of 261.28 g/mol. Its IUPAC name is 3-(benzimidazol-2-ylidenemethyl)-1H-indol-2-ol.

Molecular Properties

Compound Name3-(benzimidazol-2-ylidenemethyl)-1H-indol-2-ol
PubChem CID135483378
Molecular FormulaC16H11N3O
Molecular Weight261.28 g/mol
Exact Mass261.09
IUPAC Name3-(benzimidazol-2-ylidenemethyl)-1H-indol-2-ol
SMILESOc1[nH]c2ccccc2c1C=C1N=c2ccccc2=N1
InChIInChI=1S/C16H11N3O/c20-16-11(10-5-1-2-6-12(10)19-16)9-15-17-13-7-3-4-8-14(13)18-15/h1-9,19-20H
InChIKeyXIDMMFFODMQBJQ-UHFFFAOYSA-N
XLogP2.12
TPSA60.74 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-2-ylidenemethyl)-1H-indol-2-ol?
The IUPAC name of 3-(benzimidazol-2-ylidenemethyl)-1H-indol-2-ol (CID 135483378) is 3-(benzimidazol-2-ylidenemethyl)-1H-indol-2-ol.
What is the SMILES notation for 3-(benzimidazol-2-ylidenemethyl)-1H-indol-2-ol?
The canonical SMILES for 3-(benzimidazol-2-ylidenemethyl)-1H-indol-2-ol is Oc1[nH]c2ccccc2c1C=C1N=c2ccccc2=N1.
What is the InChIKey of 3-(benzimidazol-2-ylidenemethyl)-1H-indol-2-ol?
The InChIKey is XIDMMFFODMQBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O/c20-16-11(10-5-1-2-6-12(10)19-16)9-15-17-13-7-3-4-8-14(13)18-15/h1-9,19-20H.
What are the key properties of 3-(benzimidazol-2-ylidenemethyl)-1H-indol-2-ol?
3-(benzimidazol-2-ylidenemethyl)-1H-indol-2-ol has a molecular weight of 261.28 g/mol, XLogP of 2.12, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-2-ylidenemethyl)-1H-indol-2-ol is sourced from PubChem (CID 135483378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).