6-bromo-2-(chloromethyl)-1-[(1,5-dimethylpyrazol-4-yl)methyl]benzimidazole

C14H14BrClN4 — CID 106036776

IUPAC6-bromo-2-(chloromethyl)-1-[(1,5-dimethylpyrazol-4-yl)methyl]benzimidazole
SMILESCc1c(Cn2c(CCl)nc3ccc(Br)cc32)cnn1C
InChIInChI=1S/C14H14BrClN4/c1-9-10(7-17-19(9)2)8-20-13-5-11(15)3-4-12(13)18-14(20)6-16/h3-5,7H,6,8H2,1-2H3
InChIKeyHUVRKFAUDLCSKX-UHFFFAOYSA-N
MW353.65 g/mol
LogP3.63
Rot. Bonds3

About 6-bromo-2-(chloromethyl)-1-[(1,5-dimethylpyrazol-4-yl)methyl]benzimidazole

6-bromo-2-(chloromethyl)-1-[(1,5-dimethylpyrazol-4-yl)methyl]benzimidazole (PubChem CID 106036776) has the molecular formula C14H14BrClN4 and a molecular weight of 353.65 g/mol. Its IUPAC name is 6-bromo-2-(chloromethyl)-1-[(1,5-dimethylpyrazol-4-yl)methyl]benzimidazole.

Molecular Properties

Compound Name6-bromo-2-(chloromethyl)-1-[(1,5-dimethylpyrazol-4-yl)methyl]benzimidazole
PubChem CID106036776
Molecular FormulaC14H14BrClN4
Molecular Weight353.65 g/mol
Exact Mass352.01
IUPAC Name6-bromo-2-(chloromethyl)-1-[(1,5-dimethylpyrazol-4-yl)methyl]benzimidazole
SMILESCc1c(Cn2c(CCl)nc3ccc(Br)cc32)cnn1C
InChIInChI=1S/C14H14BrClN4/c1-9-10(7-17-19(9)2)8-20-13-5-11(15)3-4-12(13)18-14(20)6-16/h3-5,7H,6,8H2,1-2H3
InChIKeyHUVRKFAUDLCSKX-UHFFFAOYSA-N
XLogP3.63
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.65
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-2-(chloromethyl)-1-[(2-fluorophenyl)methyl]benzimidazole
CID 65344878
6-bromo-2-(2-chloroethyl)-1-[(2-methylpyrazol-3-yl)methyl]benzimidazole
CID 65346156
6-bromo-2-(chloromethyl)-1-[(5-methylfuran-2-yl)methyl]benzimidazole
CID 65346287
6-bromo-2-(chloromethyl)-1-(2-methylpropyl)benzimidazole
CID 65345262
2-[[6-bromo-2-(chloromethyl)benzimidazol-1-yl]methyl]-4-methyl-1,3-thiazole
CID 65346277
6-bromo-2-(chloromethyl)-1-[(3-methyl-2-pyridinyl)methyl]benzimidazole
CID 65346157
5-bromo-3-[(1,5-dimethylpyrazol-4-yl)methyl]-1H-benzimidazole-2-thione
CID 106034223
6-bromo-1-[(4-bromothiophen-2-yl)methyl]-2-(chloromethyl)benzimidazole
CID 65346716
5-bromo-2-(chloromethyl)-1-[(1,3-dimethylpyrazol-4-yl)methyl]benzimidazole
CID 115991031
6-bromo-2-(2-chloroethyl)-1-[(5-methylpyrazin-2-yl)methyl]benzimidazole
CID 65346016
6-bromo-2-(chloromethyl)-1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]benzimidazole
CID 106303117
6-bromo-2-(chloromethyl)-1-(2-methyl-2-methylsulfanylpropyl)benzimidazole
CID 113479176

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(chloromethyl)-1-[(1,5-dimethylpyrazol-4-yl)methyl]benzimidazole?
The IUPAC name of 6-bromo-2-(chloromethyl)-1-[(1,5-dimethylpyrazol-4-yl)methyl]benzimidazole (CID 106036776) is 6-bromo-2-(chloromethyl)-1-[(1,5-dimethylpyrazol-4-yl)methyl]benzimidazole.
What is the SMILES notation for 6-bromo-2-(chloromethyl)-1-[(1,5-dimethylpyrazol-4-yl)methyl]benzimidazole?
The canonical SMILES for 6-bromo-2-(chloromethyl)-1-[(1,5-dimethylpyrazol-4-yl)methyl]benzimidazole is Cc1c(Cn2c(CCl)nc3ccc(Br)cc32)cnn1C.
What is the InChIKey of 6-bromo-2-(chloromethyl)-1-[(1,5-dimethylpyrazol-4-yl)methyl]benzimidazole?
The InChIKey is HUVRKFAUDLCSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN4/c1-9-10(7-17-19(9)2)8-20-13-5-11(15)3-4-12(13)18-14(20)6-16/h3-5,7H,6,8H2,1-2H3.
What are the key properties of 6-bromo-2-(chloromethyl)-1-[(1,5-dimethylpyrazol-4-yl)methyl]benzimidazole?
6-bromo-2-(chloromethyl)-1-[(1,5-dimethylpyrazol-4-yl)methyl]benzimidazole has a molecular weight of 353.65 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(chloromethyl)-1-[(1,5-dimethylpyrazol-4-yl)methyl]benzimidazole is sourced from PubChem (CID 106036776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).