(5-bromo-1-methylbenzimidazol-2-yl)methanamine;dihydrochloride

C9H12BrCl2N3 — CID 155973766

IUPAC(5-bromo-1-methylbenzimidazol-2-yl)methanamine;dihydrochloride
SMILESCl.Cl.Cn1c(CN)nc2cc(Br)ccc21
InChIInChI=1S/C9H10BrN3.2ClH/c1-13-8-3-2-6(10)4-7(8)12-9(13)5-11;;/h2-4H,5,11H2,1H3;2*1H
InChIKeyRTXUHJPGEUNDSV-UHFFFAOYSA-N
MW313.03 g/mol
LogP2.64
Rot. Bonds1

About (5-bromo-1-methylbenzimidazol-2-yl)methanamine;dihydrochloride

(5-bromo-1-methylbenzimidazol-2-yl)methanamine;dihydrochloride (PubChem CID 155973766) has the molecular formula C9H12BrCl2N3 and a molecular weight of 313.03 g/mol. Its IUPAC name is (5-bromo-1-methylbenzimidazol-2-yl)methanamine;dihydrochloride.

Molecular Properties

Compound Name(5-bromo-1-methylbenzimidazol-2-yl)methanamine;dihydrochloride
PubChem CID155973766
Molecular FormulaC9H12BrCl2N3
Molecular Weight313.03 g/mol
Exact Mass310.96
IUPAC Name(5-bromo-1-methylbenzimidazol-2-yl)methanamine;dihydrochloride
SMILESCl.Cl.Cn1c(CN)nc2cc(Br)ccc21
InChIInChI=1S/C9H10BrN3.2ClH/c1-13-8-3-2-6(10)4-7(8)12-9(13)5-11;;/h2-4H,5,11H2,1H3;2*1H
InChIKeyRTXUHJPGEUNDSV-UHFFFAOYSA-N
XLogP2.64
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.03
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5-bromo-1-methylbenzimidazol-2-yl)methanamine;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-bromo-1-methylbenzimidazol-2-yl)methanamine;dihydrochloride?
The IUPAC name of (5-bromo-1-methylbenzimidazol-2-yl)methanamine;dihydrochloride (CID 155973766) is (5-bromo-1-methylbenzimidazol-2-yl)methanamine;dihydrochloride.
What is the SMILES notation for (5-bromo-1-methylbenzimidazol-2-yl)methanamine;dihydrochloride?
The canonical SMILES for (5-bromo-1-methylbenzimidazol-2-yl)methanamine;dihydrochloride is Cl.Cl.Cn1c(CN)nc2cc(Br)ccc21.
What is the InChIKey of (5-bromo-1-methylbenzimidazol-2-yl)methanamine;dihydrochloride?
The InChIKey is RTXUHJPGEUNDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3.2ClH/c1-13-8-3-2-6(10)4-7(8)12-9(13)5-11;;/h2-4H,5,11H2,1H3;2*1H.
What are the key properties of (5-bromo-1-methylbenzimidazol-2-yl)methanamine;dihydrochloride?
(5-bromo-1-methylbenzimidazol-2-yl)methanamine;dihydrochloride has a molecular weight of 313.03 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-1-methylbenzimidazol-2-yl)methanamine;dihydrochloride is sourced from PubChem (CID 155973766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).