2-(chloromethyl)-4,6-difluoro-1-(2-methylpropyl)benzimidazole

C12H13ClF2N2 — CID 115509041

IUPAC2-(chloromethyl)-4,6-difluoro-1-(2-methylpropyl)benzimidazole
SMILESCC(C)Cn1c(CCl)nc2c(F)cc(F)cc21
InChIInChI=1S/C12H13ClF2N2/c1-7(2)6-17-10-4-8(14)3-9(15)12(10)16-11(17)5-13/h3-4,7H,5-6H2,1-2H3
InChIKeyNZYKBONIRXEUII-UHFFFAOYSA-N
MW258.70 g/mol
LogP3.71
Rot. Bonds3

About 2-(chloromethyl)-4,6-difluoro-1-(2-methylpropyl)benzimidazole

2-(chloromethyl)-4,6-difluoro-1-(2-methylpropyl)benzimidazole (PubChem CID 115509041) has the molecular formula C12H13ClF2N2 and a molecular weight of 258.70 g/mol. Its IUPAC name is 2-(chloromethyl)-4,6-difluoro-1-(2-methylpropyl)benzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-4,6-difluoro-1-(2-methylpropyl)benzimidazole
PubChem CID115509041
Molecular FormulaC12H13ClF2N2
Molecular Weight258.70 g/mol
Exact Mass258.07
IUPAC Name2-(chloromethyl)-4,6-difluoro-1-(2-methylpropyl)benzimidazole
SMILESCC(C)Cn1c(CCl)nc2c(F)cc(F)cc21
InChIInChI=1S/C12H13ClF2N2/c1-7(2)6-17-10-4-8(14)3-9(15)12(10)16-11(17)5-13/h3-4,7H,5-6H2,1-2H3
InChIKeyNZYKBONIRXEUII-UHFFFAOYSA-N
XLogP3.71
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.70
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethyl)-1-(2,3-dimethylbutyl)-6-fluorobenzimidazole
CID 64596575
2-(chloromethyl)-4,6-difluoro-1-[(5-methylthiophen-2-yl)methyl]benzimidazole
CID 115509425
2-(chloromethyl)-1-(cyclohexylmethyl)-4,6-difluorobenzimidazole
CID 115509193
2-(chloromethyl)-4,6-difluoro-1-[(3-fluorophenyl)methyl]benzimidazole
CID 115509080
2-(chloromethyl)-4,6-difluoro-1-[(1-methylpiperidin-2-yl)methyl]benzimidazole
CID 115509365
2-(chloromethyl)-4,6-difluoro-1-[(3-methylphenyl)methyl]benzimidazole
CID 115509254
2-[[2-(chloromethyl)-4,6-difluorobenzimidazol-1-yl]methyl]-4-methyl-1,3-thiazole
CID 115509344
2-(chloromethyl)-4,6-difluoro-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazole
CID 103008907
6-chloro-2-(chloromethyl)-1-(2-methylpropyl)benzimidazole
CID 115470827
2-(chloromethyl)-4,6-difluoro-1-(oxan-4-ylmethyl)benzimidazole
CID 115509514
1-[(4-bromothiophen-2-yl)methyl]-2-(chloromethyl)-4,6-difluorobenzimidazole
CID 115509558
2-(chloromethyl)-4,6-difluoro-1-(thiophen-2-ylmethyl)benzimidazole
CID 113325666

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4,6-difluoro-1-(2-methylpropyl)benzimidazole?
The IUPAC name of 2-(chloromethyl)-4,6-difluoro-1-(2-methylpropyl)benzimidazole (CID 115509041) is 2-(chloromethyl)-4,6-difluoro-1-(2-methylpropyl)benzimidazole.
What is the SMILES notation for 2-(chloromethyl)-4,6-difluoro-1-(2-methylpropyl)benzimidazole?
The canonical SMILES for 2-(chloromethyl)-4,6-difluoro-1-(2-methylpropyl)benzimidazole is CC(C)Cn1c(CCl)nc2c(F)cc(F)cc21.
What is the InChIKey of 2-(chloromethyl)-4,6-difluoro-1-(2-methylpropyl)benzimidazole?
The InChIKey is NZYKBONIRXEUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClF2N2/c1-7(2)6-17-10-4-8(14)3-9(15)12(10)16-11(17)5-13/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 2-(chloromethyl)-4,6-difluoro-1-(2-methylpropyl)benzimidazole?
2-(chloromethyl)-4,6-difluoro-1-(2-methylpropyl)benzimidazole has a molecular weight of 258.70 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4,6-difluoro-1-(2-methylpropyl)benzimidazole is sourced from PubChem (CID 115509041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).