6-bromo-2-(chloromethyl)-5-fluoro-1-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazole

C14H13BrClFN4 — CID 106105831

IUPAC6-bromo-2-(chloromethyl)-5-fluoro-1-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazole
SMILESCn1ccc(CCn2c(CCl)nc3cc(F)c(Br)cc32)n1
InChIInChI=1S/C14H13BrClFN4/c1-20-4-2-9(19-20)3-5-21-13-6-10(15)11(17)7-12(13)18-14(21)8-16/h2,4,6-7H,3,5,8H2,1H3
InChIKeyUNBSVESELUXWBT-UHFFFAOYSA-N
MW371.64 g/mol
LogP3.65
Rot. Bonds4

About 6-bromo-2-(chloromethyl)-5-fluoro-1-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazole

6-bromo-2-(chloromethyl)-5-fluoro-1-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazole (PubChem CID 106105831) has the molecular formula C14H13BrClFN4 and a molecular weight of 371.64 g/mol. Its IUPAC name is 6-bromo-2-(chloromethyl)-5-fluoro-1-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazole.

Molecular Properties

Compound Name6-bromo-2-(chloromethyl)-5-fluoro-1-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazole
PubChem CID106105831
Molecular FormulaC14H13BrClFN4
Molecular Weight371.64 g/mol
Exact Mass370.00
IUPAC Name6-bromo-2-(chloromethyl)-5-fluoro-1-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazole
SMILESCn1ccc(CCn2c(CCl)nc3cc(F)c(Br)cc32)n1
InChIInChI=1S/C14H13BrClFN4/c1-20-4-2-9(19-20)3-5-21-13-6-10(15)11(17)7-12(13)18-14(21)8-16/h2,4,6-7H,3,5,8H2,1H3
InChIKeyUNBSVESELUXWBT-UHFFFAOYSA-N
XLogP3.65
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.64
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-bromo-2-(chloromethyl)-5-fluoro-1-[2-(1-methylpyrazol-3-yl)ethyl]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)-6-methyl-1-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazole
CID 106105821
5-[2-[6-bromo-2-(chloromethyl)-5-fluorobenzimidazol-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 106420407
6-bromo-2-(chloromethyl)-5-fluoro-1-(3-methylsulfanylpropyl)benzimidazole
CID 116739118
5-[2-[6-bromo-2-(chloromethyl)-5-fluorobenzimidazol-1-yl]ethyl]-1,2,4-oxadiazole
CID 106407214
6-bromo-2-(chloromethyl)-5-fluoro-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzimidazole
CID 116739016
6-bromo-2-(chloromethyl)-5-fluoro-1-(3-pyrazol-1-ylpropyl)benzimidazole
CID 116739317
6-bromo-2-(chloromethyl)-1-(2-cyclopentylethyl)-5-fluorobenzimidazole
CID 116738831
3-[5-bromo-2-(chloromethyl)-6-fluorobenzimidazol-1-yl]-N,N-diethylpropan-1-amine
CID 66087104
4-[5-bromo-2-(chloromethyl)-6-fluorobenzimidazol-1-yl]-N,N-dimethylbutan-1-amine
CID 66088080
6-bromo-1-tert-butyl-2-(chloromethyl)-5-fluorobenzimidazole
CID 116738667
1-[[6-bromo-2-(chloromethyl)-5-fluorobenzimidazol-1-yl]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105419419
4-[2-[5-bromo-2-(chloromethyl)-6-fluorobenzimidazol-1-yl]ethyl]thiomorpholine
CID 106326521

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(chloromethyl)-5-fluoro-1-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazole?
The IUPAC name of 6-bromo-2-(chloromethyl)-5-fluoro-1-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazole (CID 106105831) is 6-bromo-2-(chloromethyl)-5-fluoro-1-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazole.
What is the SMILES notation for 6-bromo-2-(chloromethyl)-5-fluoro-1-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazole?
The canonical SMILES for 6-bromo-2-(chloromethyl)-5-fluoro-1-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazole is Cn1ccc(CCn2c(CCl)nc3cc(F)c(Br)cc32)n1.
What is the InChIKey of 6-bromo-2-(chloromethyl)-5-fluoro-1-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazole?
The InChIKey is UNBSVESELUXWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClFN4/c1-20-4-2-9(19-20)3-5-21-13-6-10(15)11(17)7-12(13)18-14(21)8-16/h2,4,6-7H,3,5,8H2,1H3.
What are the key properties of 6-bromo-2-(chloromethyl)-5-fluoro-1-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazole?
6-bromo-2-(chloromethyl)-5-fluoro-1-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazole has a molecular weight of 371.64 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(chloromethyl)-5-fluoro-1-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazole is sourced from PubChem (CID 106105831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).