1-[[6-bromo-2-(chloromethyl)-5-fluorobenzimidazol-1-yl]methyl]-N,N-dimethylcyclobutan-1-amine

C15H18BrClFN3 — CID 105419419

IUPAC1-[[6-bromo-2-(chloromethyl)-5-fluorobenzimidazol-1-yl]methyl]-N,N-dimethylcyclobutan-1-amine
SMILESCN(C)C1(Cn2c(CCl)nc3cc(F)c(Br)cc32)CCC1
InChIInChI=1S/C15H18BrClFN3/c1-20(2)15(4-3-5-15)9-21-13-6-10(16)11(18)7-12(13)19-14(21)8-17/h6-7H,3-5,8-9H2,1-2H3
InChIKeyCMEIKORNOBUMFF-UHFFFAOYSA-N
MW374.69 g/mol
LogP4.16
Rot. Bonds4

About 1-[[6-bromo-2-(chloromethyl)-5-fluorobenzimidazol-1-yl]methyl]-N,N-dimethylcyclobutan-1-amine

1-[[6-bromo-2-(chloromethyl)-5-fluorobenzimidazol-1-yl]methyl]-N,N-dimethylcyclobutan-1-amine (PubChem CID 105419419) has the molecular formula C15H18BrClFN3 and a molecular weight of 374.69 g/mol. Its IUPAC name is 1-[[6-bromo-2-(chloromethyl)-5-fluorobenzimidazol-1-yl]methyl]-N,N-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name1-[[6-bromo-2-(chloromethyl)-5-fluorobenzimidazol-1-yl]methyl]-N,N-dimethylcyclobutan-1-amine
PubChem CID105419419
Molecular FormulaC15H18BrClFN3
Molecular Weight374.69 g/mol
Exact Mass373.04
IUPAC Name1-[[6-bromo-2-(chloromethyl)-5-fluorobenzimidazol-1-yl]methyl]-N,N-dimethylcyclobutan-1-amine
SMILESCN(C)C1(Cn2c(CCl)nc3cc(F)c(Br)cc32)CCC1
InChIInChI=1S/C15H18BrClFN3/c1-20(2)15(4-3-5-15)9-21-13-6-10(16)11(18)7-12(13)19-14(21)8-17/h6-7H,3-5,8-9H2,1-2H3
InChIKeyCMEIKORNOBUMFF-UHFFFAOYSA-N
XLogP4.16
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.69
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[[6-bromo-2-(chloromethyl)-5-fluorobenzimidazol-1-yl]methyl]-N,N-dimethylcyclobutan-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

Related Compounds

5-bromo-2-(chloromethyl)-6-fluoro-1-[(1-methylcyclopentyl)methyl]benzimidazole
CID 66087529
6-bromo-2-(chloromethyl)-1-(2-cyclopentylethyl)-5-fluorobenzimidazole
CID 116738831
6-bromo-2-(chloromethyl)-5-fluoro-1-(3-methylsulfanylpropyl)benzimidazole
CID 116739118
4-[5-bromo-2-(chloromethyl)-6-fluorobenzimidazol-1-yl]-N,N-dimethylbutan-1-amine
CID 66088080
5-bromo-2-(chloromethyl)-1-(cyclobutylmethyl)-6-fluorobenzimidazole
CID 66088881
6-bromo-2-(chloromethyl)-5-fluoro-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzimidazole
CID 116739016
5-bromo-2-(chloromethyl)-6-fluoro-1-[(1-methylpiperidin-3-yl)methyl]benzimidazole
CID 66086549
6-bromo-1-tert-butyl-2-(chloromethyl)-5-fluorobenzimidazole
CID 116738667
6-bromo-2-(chloromethyl)-5-fluoro-1-(3-pyrazol-1-ylpropyl)benzimidazole
CID 116739317
5-bromo-2-(chloromethyl)-6-fluoro-1-[(1-methylpiperidin-4-yl)methyl]benzimidazole
CID 66086361
6-bromo-2-(chloromethyl)-5-fluoro-1-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazole
CID 106105831
2-[[6-bromo-2-(chloromethyl)-5-fluorobenzimidazol-1-yl]methyl]-5-methyl-1,3-oxazole
CID 106375785

Frequently Asked Questions

What is the IUPAC name of 1-[[6-bromo-2-(chloromethyl)-5-fluorobenzimidazol-1-yl]methyl]-N,N-dimethylcyclobutan-1-amine?
The IUPAC name of 1-[[6-bromo-2-(chloromethyl)-5-fluorobenzimidazol-1-yl]methyl]-N,N-dimethylcyclobutan-1-amine (CID 105419419) is 1-[[6-bromo-2-(chloromethyl)-5-fluorobenzimidazol-1-yl]methyl]-N,N-dimethylcyclobutan-1-amine.
What is the SMILES notation for 1-[[6-bromo-2-(chloromethyl)-5-fluorobenzimidazol-1-yl]methyl]-N,N-dimethylcyclobutan-1-amine?
The canonical SMILES for 1-[[6-bromo-2-(chloromethyl)-5-fluorobenzimidazol-1-yl]methyl]-N,N-dimethylcyclobutan-1-amine is CN(C)C1(Cn2c(CCl)nc3cc(F)c(Br)cc32)CCC1.
What is the InChIKey of 1-[[6-bromo-2-(chloromethyl)-5-fluorobenzimidazol-1-yl]methyl]-N,N-dimethylcyclobutan-1-amine?
The InChIKey is CMEIKORNOBUMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrClFN3/c1-20(2)15(4-3-5-15)9-21-13-6-10(16)11(18)7-12(13)19-14(21)8-17/h6-7H,3-5,8-9H2,1-2H3.
What are the key properties of 1-[[6-bromo-2-(chloromethyl)-5-fluorobenzimidazol-1-yl]methyl]-N,N-dimethylcyclobutan-1-amine?
1-[[6-bromo-2-(chloromethyl)-5-fluorobenzimidazol-1-yl]methyl]-N,N-dimethylcyclobutan-1-amine has a molecular weight of 374.69 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-bromo-2-(chloromethyl)-5-fluorobenzimidazol-1-yl]methyl]-N,N-dimethylcyclobutan-1-amine is sourced from PubChem (CID 105419419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).