1H-benzimidazol-2-ylmethanol

C16H16N4O2 — CID 139057478

IUPAC1H-benzimidazol-2-ylmethanol
SMILESOCc1nc2ccccc2[nH]1.OCc1nc2ccccc2[nH]1
InChIInChI=1S/2C8H8N2O/c2*11-5-8-9-6-3-1-2-4-7(6)10-8/h2*1-4,11H,5H2,(H,9,10)
InChIKeyQYIBSQPIZNNYCR-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.11
Rot. Bonds2

About 1H-benzimidazol-2-ylmethanol

1H-benzimidazol-2-ylmethanol (PubChem CID 139057478) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 1H-benzimidazol-2-ylmethanol.

Molecular Properties

Compound Name1H-benzimidazol-2-ylmethanol
PubChem CID139057478
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name1H-benzimidazol-2-ylmethanol
SMILESOCc1nc2ccccc2[nH]1.OCc1nc2ccccc2[nH]1
InChIInChI=1S/2C8H8N2O/c2*11-5-8-9-6-3-1-2-4-7(6)10-8/h2*1-4,11H,5H2,(H,9,10)
InChIKeyQYIBSQPIZNNYCR-UHFFFAOYSA-N
XLogP2.11
TPSA97.82 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-ylmethanol?
The IUPAC name of 1H-benzimidazol-2-ylmethanol (CID 139057478) is 1H-benzimidazol-2-ylmethanol.
What is the SMILES notation for 1H-benzimidazol-2-ylmethanol?
The canonical SMILES for 1H-benzimidazol-2-ylmethanol is OCc1nc2ccccc2[nH]1.OCc1nc2ccccc2[nH]1.
What is the InChIKey of 1H-benzimidazol-2-ylmethanol?
The InChIKey is QYIBSQPIZNNYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H8N2O/c2*11-5-8-9-6-3-1-2-4-7(6)10-8/h2*1-4,11H,5H2,(H,9,10).
What are the key properties of 1H-benzimidazol-2-ylmethanol?
1H-benzimidazol-2-ylmethanol has a molecular weight of 296.33 g/mol, XLogP of 2.11, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazol-2-ylmethanol is sourced from PubChem (CID 139057478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).