4-bromo-1-ethyl-2-methylbenzimidazol-5-ol

C10H11BrN2O — CID 873413

IUPAC4-bromo-1-ethyl-2-methylbenzimidazol-5-ol
SMILESCCn1c(C)nc2c(Br)c(O)ccc21
InChIInChI=1S/C10H11BrN2O/c1-3-13-6(2)12-10-7(13)4-5-8(14)9(10)11/h4-5,14H,3H2,1-2H3
InChIKeyZHHFXVYZIZSYCC-UHFFFAOYSA-N
MW255.11 g/mol
LogP2.83
Rot. Bonds1

About 4-bromo-1-ethyl-2-methylbenzimidazol-5-ol

4-bromo-1-ethyl-2-methylbenzimidazol-5-ol (PubChem CID 873413) has the molecular formula C10H11BrN2O and a molecular weight of 255.11 g/mol. Its IUPAC name is 4-bromo-1-ethyl-2-methylbenzimidazol-5-ol.

Molecular Properties

Compound Name4-bromo-1-ethyl-2-methylbenzimidazol-5-ol
PubChem CID873413
Molecular FormulaC10H11BrN2O
Molecular Weight255.11 g/mol
Exact Mass254.01
IUPAC Name4-bromo-1-ethyl-2-methylbenzimidazol-5-ol
SMILESCCn1c(C)nc2c(Br)c(O)ccc21
InChIInChI=1S/C10H11BrN2O/c1-3-13-6(2)12-10-7(13)4-5-8(14)9(10)11/h4-5,14H,3H2,1-2H3
InChIKeyZHHFXVYZIZSYCC-UHFFFAOYSA-N
XLogP2.83
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-ethyl-2-methylbenzimidazol-5-ol?
The IUPAC name of 4-bromo-1-ethyl-2-methylbenzimidazol-5-ol (CID 873413) is 4-bromo-1-ethyl-2-methylbenzimidazol-5-ol.
What is the SMILES notation for 4-bromo-1-ethyl-2-methylbenzimidazol-5-ol?
The canonical SMILES for 4-bromo-1-ethyl-2-methylbenzimidazol-5-ol is CCn1c(C)nc2c(Br)c(O)ccc21.
What is the InChIKey of 4-bromo-1-ethyl-2-methylbenzimidazol-5-ol?
The InChIKey is ZHHFXVYZIZSYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O/c1-3-13-6(2)12-10-7(13)4-5-8(14)9(10)11/h4-5,14H,3H2,1-2H3.
What are the key properties of 4-bromo-1-ethyl-2-methylbenzimidazol-5-ol?
4-bromo-1-ethyl-2-methylbenzimidazol-5-ol has a molecular weight of 255.11 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-ethyl-2-methylbenzimidazol-5-ol is sourced from PubChem (CID 873413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).