3-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-N-methylpropan-1-amine

C12H16BrN3 — CID 104574138

IUPAC3-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-N-methylpropan-1-amine
SMILESCNCCCc1nc2c(C)cc(Br)cc2[nH]1
InChIInChI=1S/C12H16BrN3/c1-8-6-9(13)7-10-12(8)16-11(15-10)4-3-5-14-2/h6-7,14H,3-5H2,1-2H3,(H,15,16)
InChIKeyAOGBLVMSZUBTPL-UHFFFAOYSA-N
MW282.19 g/mol
LogP2.79
Rot. Bonds4

About 3-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-N-methylpropan-1-amine

3-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-N-methylpropan-1-amine (PubChem CID 104574138) has the molecular formula C12H16BrN3 and a molecular weight of 282.19 g/mol. Its IUPAC name is 3-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-N-methylpropan-1-amine
PubChem CID104574138
Molecular FormulaC12H16BrN3
Molecular Weight282.19 g/mol
Exact Mass281.05
IUPAC Name3-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-N-methylpropan-1-amine
SMILESCNCCCc1nc2c(C)cc(Br)cc2[nH]1
InChIInChI=1S/C12H16BrN3/c1-8-6-9(13)7-10-12(8)16-11(15-10)4-3-5-14-2/h6-7,14H,3-5H2,1-2H3,(H,15,16)
InChIKeyAOGBLVMSZUBTPL-UHFFFAOYSA-N
XLogP2.79
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.19
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-N-methylpropan-1-amine 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 3-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-N-methylpropan-1-amine?
The IUPAC name of 3-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-N-methylpropan-1-amine (CID 104574138) is 3-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-N-methylpropan-1-amine is CNCCCc1nc2c(C)cc(Br)cc2[nH]1.
What is the InChIKey of 3-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-N-methylpropan-1-amine?
The InChIKey is AOGBLVMSZUBTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3/c1-8-6-9(13)7-10-12(8)16-11(15-10)4-3-5-14-2/h6-7,14H,3-5H2,1-2H3,(H,15,16).
What are the key properties of 3-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-N-methylpropan-1-amine?
3-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-N-methylpropan-1-amine has a molecular weight of 282.19 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 104574138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).