1-(3-bromo-2,2-dimethylpropyl)-5,6-dimethylbenzimidazole

C14H19BrN2 — CID 64995120

IUPAC1-(3-bromo-2,2-dimethylpropyl)-5,6-dimethylbenzimidazole
SMILESCc1cc2ncn(CC(C)(C)CBr)c2cc1C
InChIInChI=1S/C14H19BrN2/c1-10-5-12-13(6-11(10)2)17(9-16-12)8-14(3,4)7-15/h5-6,9H,7-8H2,1-4H3
InChIKeyHNNPCADYPWYTTI-UHFFFAOYSA-N
MW295.22 g/mol
LogP4.07
Rot. Bonds3

About 1-(3-bromo-2,2-dimethylpropyl)-5,6-dimethylbenzimidazole

1-(3-bromo-2,2-dimethylpropyl)-5,6-dimethylbenzimidazole (PubChem CID 64995120) has the molecular formula C14H19BrN2 and a molecular weight of 295.22 g/mol. Its IUPAC name is 1-(3-bromo-2,2-dimethylpropyl)-5,6-dimethylbenzimidazole.

Molecular Properties

Compound Name1-(3-bromo-2,2-dimethylpropyl)-5,6-dimethylbenzimidazole
PubChem CID64995120
Molecular FormulaC14H19BrN2
Molecular Weight295.22 g/mol
Exact Mass294.07
IUPAC Name1-(3-bromo-2,2-dimethylpropyl)-5,6-dimethylbenzimidazole
SMILESCc1cc2ncn(CC(C)(C)CBr)c2cc1C
InChIInChI=1S/C14H19BrN2/c1-10-5-12-13(6-11(10)2)17(9-16-12)8-14(3,4)7-15/h5-6,9H,7-8H2,1-4H3
InChIKeyHNNPCADYPWYTTI-UHFFFAOYSA-N
XLogP4.07
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3-bromo-2,2-dimethylpropyl)-5,6-dimethylbenzimidazole 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 1-(3-bromo-2,2-dimethylpropyl)-5,6-dimethylbenzimidazole?
The IUPAC name of 1-(3-bromo-2,2-dimethylpropyl)-5,6-dimethylbenzimidazole (CID 64995120) is 1-(3-bromo-2,2-dimethylpropyl)-5,6-dimethylbenzimidazole.
What is the SMILES notation for 1-(3-bromo-2,2-dimethylpropyl)-5,6-dimethylbenzimidazole?
The canonical SMILES for 1-(3-bromo-2,2-dimethylpropyl)-5,6-dimethylbenzimidazole is Cc1cc2ncn(CC(C)(C)CBr)c2cc1C.
What is the InChIKey of 1-(3-bromo-2,2-dimethylpropyl)-5,6-dimethylbenzimidazole?
The InChIKey is HNNPCADYPWYTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2/c1-10-5-12-13(6-11(10)2)17(9-16-12)8-14(3,4)7-15/h5-6,9H,7-8H2,1-4H3.
What are the key properties of 1-(3-bromo-2,2-dimethylpropyl)-5,6-dimethylbenzimidazole?
1-(3-bromo-2,2-dimethylpropyl)-5,6-dimethylbenzimidazole has a molecular weight of 295.22 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2,2-dimethylpropyl)-5,6-dimethylbenzimidazole is sourced from PubChem (CID 64995120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).