1H-benzimidazol-4-ol;hydrobromide

C7H7BrN2O — CID 23367367

IUPAC1H-benzimidazol-4-ol;hydrobromide
SMILESBr.Oc1cccc2[nH]cnc12
InChIInChI=1S/C7H6N2O.BrH/c10-6-3-1-2-5-7(6)9-4-8-5;/h1-4,10H,(H,8,9);1H
InChIKeyLQYCBQFJNDSPAV-UHFFFAOYSA-N
MW215.05 g/mol
LogP1.85
Rot. Bonds

About 1H-benzimidazol-4-ol;hydrobromide

1H-benzimidazol-4-ol;hydrobromide (PubChem CID 23367367) has the molecular formula C7H7BrN2O and a molecular weight of 215.05 g/mol. Its IUPAC name is 1H-benzimidazol-4-ol;hydrobromide.

Molecular Properties

Compound Name1H-benzimidazol-4-ol;hydrobromide
PubChem CID23367367
Molecular FormulaC7H7BrN2O
Molecular Weight215.05 g/mol
Exact Mass213.97
IUPAC Name1H-benzimidazol-4-ol;hydrobromide
SMILESBr.Oc1cccc2[nH]cnc12
InChIInChI=1S/C7H6N2O.BrH/c10-6-3-1-2-5-7(6)9-4-8-5;/h1-4,10H,(H,8,9);1H
InChIKeyLQYCBQFJNDSPAV-UHFFFAOYSA-N
XLogP1.85
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.05
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-4-ol;hydrobromide?
The IUPAC name of 1H-benzimidazol-4-ol;hydrobromide (CID 23367367) is 1H-benzimidazol-4-ol;hydrobromide.
What is the SMILES notation for 1H-benzimidazol-4-ol;hydrobromide?
The canonical SMILES for 1H-benzimidazol-4-ol;hydrobromide is Br.Oc1cccc2[nH]cnc12.
What is the InChIKey of 1H-benzimidazol-4-ol;hydrobromide?
The InChIKey is LQYCBQFJNDSPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O.BrH/c10-6-3-1-2-5-7(6)9-4-8-5;/h1-4,10H,(H,8,9);1H.
What are the key properties of 1H-benzimidazol-4-ol;hydrobromide?
1H-benzimidazol-4-ol;hydrobromide has a molecular weight of 215.05 g/mol, XLogP of 1.85, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazol-4-ol;hydrobromide is sourced from PubChem (CID 23367367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).