6-bromo-2-(chloromethyl)-1-(dicyclopropylmethyl)benzimidazole

C15H16BrClN2 — CID 65346411

IUPAC6-bromo-2-(chloromethyl)-1-(dicyclopropylmethyl)benzimidazole
SMILESClCc1nc2ccc(Br)cc2n1C(C1CC1)C1CC1
InChIInChI=1S/C15H16BrClN2/c16-11-5-6-12-13(7-11)19(14(8-17)18-12)15(9-1-2-9)10-3-4-10/h5-7,9-10,15H,1-4,8H2
InChIKeyHCVNINAILSUDKH-UHFFFAOYSA-N
MW339.66 g/mol
LogP4.90
Rot. Bonds4

About 6-bromo-2-(chloromethyl)-1-(dicyclopropylmethyl)benzimidazole

6-bromo-2-(chloromethyl)-1-(dicyclopropylmethyl)benzimidazole (PubChem CID 65346411) has the molecular formula C15H16BrClN2 and a molecular weight of 339.66 g/mol. Its IUPAC name is 6-bromo-2-(chloromethyl)-1-(dicyclopropylmethyl)benzimidazole.

Molecular Properties

Compound Name6-bromo-2-(chloromethyl)-1-(dicyclopropylmethyl)benzimidazole
PubChem CID65346411
Molecular FormulaC15H16BrClN2
Molecular Weight339.66 g/mol
Exact Mass338.02
IUPAC Name6-bromo-2-(chloromethyl)-1-(dicyclopropylmethyl)benzimidazole
SMILESClCc1nc2ccc(Br)cc2n1C(C1CC1)C1CC1
InChIInChI=1S/C15H16BrClN2/c16-11-5-6-12-13(7-11)19(14(8-17)18-12)15(9-1-2-9)10-3-4-10/h5-7,9-10,15H,1-4,8H2
InChIKeyHCVNINAILSUDKH-UHFFFAOYSA-N
XLogP4.90
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.66
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-bromo-2-(chloromethyl)-1-(dicyclopropylmethyl)benzimidazole with MolForge

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

Launch Full Analysis

Related Compounds

2-(chloromethyl)-1-(dicyclopropylmethyl)-5-iodobenzimidazole
CID 66081645
2-(2-chloroethyl)-1-(dicyclopropylmethyl)-6-fluorobenzimidazole
CID 62376179
6-bromo-2-(chloromethyl)-1-(5-methylhexan-2-yl)benzimidazole
CID 65346159
6-bromo-2-(chloromethyl)-1-(1-piperidin-1-ylpropan-2-yl)benzimidazole
CID 65346599
3-[6-bromo-2-(chloromethyl)benzimidazol-1-yl]-N,N-dimethylbutan-1-amine
CID 65346458
2-[6-bromo-2-(chloromethyl)benzimidazol-1-yl]-N-methylpropanamide
CID 65346044
6-bromo-2-(chloromethyl)-1-(2-methylpropyl)benzimidazole
CID 65345262
5-bromo-2-(chloromethyl)-1-cyclopropylbenzimidazole
CID 43660199
1-[1-(4-bromophenyl)ethyl]-2-(chloromethyl)-6-fluorobenzimidazole
CID 63546319
6-bromo-2-(chloromethyl)-1-(2,2-dimethylcyclopropyl)benzimidazole
CID 65346703
6-bromo-2-(chloromethyl)-1-(1-methylcyclopentyl)benzimidazole
CID 65346626
2-(chloromethyl)-1-(1-cyclopropylethyl)benzimidazole
CID 43533654

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(chloromethyl)-1-(dicyclopropylmethyl)benzimidazole?
The IUPAC name of 6-bromo-2-(chloromethyl)-1-(dicyclopropylmethyl)benzimidazole (CID 65346411) is 6-bromo-2-(chloromethyl)-1-(dicyclopropylmethyl)benzimidazole.
What is the SMILES notation for 6-bromo-2-(chloromethyl)-1-(dicyclopropylmethyl)benzimidazole?
The canonical SMILES for 6-bromo-2-(chloromethyl)-1-(dicyclopropylmethyl)benzimidazole is ClCc1nc2ccc(Br)cc2n1C(C1CC1)C1CC1.
What is the InChIKey of 6-bromo-2-(chloromethyl)-1-(dicyclopropylmethyl)benzimidazole?
The InChIKey is HCVNINAILSUDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClN2/c16-11-5-6-12-13(7-11)19(14(8-17)18-12)15(9-1-2-9)10-3-4-10/h5-7,9-10,15H,1-4,8H2.
What are the key properties of 6-bromo-2-(chloromethyl)-1-(dicyclopropylmethyl)benzimidazole?
6-bromo-2-(chloromethyl)-1-(dicyclopropylmethyl)benzimidazole has a molecular weight of 339.66 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(chloromethyl)-1-(dicyclopropylmethyl)benzimidazole is sourced from PubChem (CID 65346411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).