5-bromo-1,2,6-trimethylbenzimidazol-4-amine

C10H12BrN3 — CID 10445004

IUPAC5-bromo-1,2,6-trimethylbenzimidazol-4-amine
SMILESCc1cc2c(nc(C)n2C)c(N)c1Br
InChIInChI=1S/C10H12BrN3/c1-5-4-7-10(9(12)8(5)11)13-6(2)14(7)3/h4H,12H2,1-3H3
InChIKeyMYIVANBXFOALTD-UHFFFAOYSA-N
MW254.13 g/mol
LogP2.53
Rot. Bonds

About 5-bromo-1,2,6-trimethylbenzimidazol-4-amine

5-bromo-1,2,6-trimethylbenzimidazol-4-amine (PubChem CID 10445004) has the molecular formula C10H12BrN3 and a molecular weight of 254.13 g/mol. Its IUPAC name is 5-bromo-1,2,6-trimethylbenzimidazol-4-amine.

Molecular Properties

Compound Name5-bromo-1,2,6-trimethylbenzimidazol-4-amine
PubChem CID10445004
Molecular FormulaC10H12BrN3
Molecular Weight254.13 g/mol
Exact Mass253.02
IUPAC Name5-bromo-1,2,6-trimethylbenzimidazol-4-amine
SMILESCc1cc2c(nc(C)n2C)c(N)c1Br
InChIInChI=1S/C10H12BrN3/c1-5-4-7-10(9(12)8(5)11)13-6(2)14(7)3/h4H,12H2,1-3H3
InChIKeyMYIVANBXFOALTD-UHFFFAOYSA-N
XLogP2.53
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1,2,6-trimethylbenzimidazol-4-amine?
The IUPAC name of 5-bromo-1,2,6-trimethylbenzimidazol-4-amine (CID 10445004) is 5-bromo-1,2,6-trimethylbenzimidazol-4-amine.
What is the SMILES notation for 5-bromo-1,2,6-trimethylbenzimidazol-4-amine?
The canonical SMILES for 5-bromo-1,2,6-trimethylbenzimidazol-4-amine is Cc1cc2c(nc(C)n2C)c(N)c1Br.
What is the InChIKey of 5-bromo-1,2,6-trimethylbenzimidazol-4-amine?
The InChIKey is MYIVANBXFOALTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3/c1-5-4-7-10(9(12)8(5)11)13-6(2)14(7)3/h4H,12H2,1-3H3.
What are the key properties of 5-bromo-1,2,6-trimethylbenzimidazol-4-amine?
5-bromo-1,2,6-trimethylbenzimidazol-4-amine has a molecular weight of 254.13 g/mol, XLogP of 2.53, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1,2,6-trimethylbenzimidazol-4-amine is sourced from PubChem (CID 10445004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).