2-(4-bromo-2-methyl-6-nitrobenzimidazol-1-yl)ethanol

C10H10BrN3O3 — CID 156539622

IUPAC2-(4-bromo-2-methyl-6-nitrobenzimidazol-1-yl)ethanol
SMILESCc1nc2c(Br)cc([N+](=O)[O-])cc2n1CCO
InChIInChI=1S/C10H10BrN3O3/c1-6-12-10-8(11)4-7(14(16)17)5-9(10)13(6)2-3-15/h4-5,15H,2-3H2,1H3
InChIKeyQSRKPNXKPYBNAD-UHFFFAOYSA-N
MW300.11 g/mol
LogP2.01
Rot. Bonds3

About 2-(4-bromo-2-methyl-6-nitrobenzimidazol-1-yl)ethanol

2-(4-bromo-2-methyl-6-nitrobenzimidazol-1-yl)ethanol (PubChem CID 156539622) has the molecular formula C10H10BrN3O3 and a molecular weight of 300.11 g/mol. Its IUPAC name is 2-(4-bromo-2-methyl-6-nitrobenzimidazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(4-bromo-2-methyl-6-nitrobenzimidazol-1-yl)ethanol
PubChem CID156539622
Molecular FormulaC10H10BrN3O3
Molecular Weight300.11 g/mol
Exact Mass298.99
IUPAC Name2-(4-bromo-2-methyl-6-nitrobenzimidazol-1-yl)ethanol
SMILESCc1nc2c(Br)cc([N+](=O)[O-])cc2n1CCO
InChIInChI=1S/C10H10BrN3O3/c1-6-12-10-8(11)4-7(14(16)17)5-9(10)13(6)2-3-15/h4-5,15H,2-3H2,1H3
InChIKeyQSRKPNXKPYBNAD-UHFFFAOYSA-N
XLogP2.01
TPSA81.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.11
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methyl-6-nitrobenzimidazol-1-yl)ethanol?
The IUPAC name of 2-(4-bromo-2-methyl-6-nitrobenzimidazol-1-yl)ethanol (CID 156539622) is 2-(4-bromo-2-methyl-6-nitrobenzimidazol-1-yl)ethanol.
What is the SMILES notation for 2-(4-bromo-2-methyl-6-nitrobenzimidazol-1-yl)ethanol?
The canonical SMILES for 2-(4-bromo-2-methyl-6-nitrobenzimidazol-1-yl)ethanol is Cc1nc2c(Br)cc([N+](=O)[O-])cc2n1CCO.
What is the InChIKey of 2-(4-bromo-2-methyl-6-nitrobenzimidazol-1-yl)ethanol?
The InChIKey is QSRKPNXKPYBNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O3/c1-6-12-10-8(11)4-7(14(16)17)5-9(10)13(6)2-3-15/h4-5,15H,2-3H2,1H3.
What are the key properties of 2-(4-bromo-2-methyl-6-nitrobenzimidazol-1-yl)ethanol?
2-(4-bromo-2-methyl-6-nitrobenzimidazol-1-yl)ethanol has a molecular weight of 300.11 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methyl-6-nitrobenzimidazol-1-yl)ethanol is sourced from PubChem (CID 156539622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).