2-(chloromethyl)-1-cyclopropyl-4,6-difluorobenzimidazole

C11H9ClF2N2 — CID 115509040

IUPAC2-(chloromethyl)-1-cyclopropyl-4,6-difluorobenzimidazole
SMILESFc1cc(F)c2nc(CCl)n(C3CC3)c2c1
InChIInChI=1S/C11H9ClF2N2/c12-5-10-15-11-8(14)3-6(13)4-9(11)16(10)7-1-2-7/h3-4,7H,1-2,5H2
InChIKeyGNVSJJWXWWATSM-UHFFFAOYSA-N
MW242.66 g/mol
LogP3.39
Rot. Bonds2

About 2-(chloromethyl)-1-cyclopropyl-4,6-difluorobenzimidazole

2-(chloromethyl)-1-cyclopropyl-4,6-difluorobenzimidazole (PubChem CID 115509040) has the molecular formula C11H9ClF2N2 and a molecular weight of 242.66 g/mol. Its IUPAC name is 2-(chloromethyl)-1-cyclopropyl-4,6-difluorobenzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-1-cyclopropyl-4,6-difluorobenzimidazole
PubChem CID115509040
Molecular FormulaC11H9ClF2N2
Molecular Weight242.66 g/mol
Exact Mass242.04
IUPAC Name2-(chloromethyl)-1-cyclopropyl-4,6-difluorobenzimidazole
SMILESFc1cc(F)c2nc(CCl)n(C3CC3)c2c1
InChIInChI=1S/C11H9ClF2N2/c12-5-10-15-11-8(14)3-6(13)4-9(11)16(10)7-1-2-7/h3-4,7H,1-2,5H2
InChIKeyGNVSJJWXWWATSM-UHFFFAOYSA-N
XLogP3.39
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.66
LogP ≤ 53.39
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-(4-ethylcyclohexyl)-4,6-difluorobenzimidazole
CID 115509297
2-(2-chloroethyl)-4,6-difluoro-1-(4-methylcyclohexyl)benzimidazole
CID 104963478
2-(chloromethyl)-1-(2,3-dimethylcyclopentyl)-4,6-difluorobenzimidazole
CID 115509592
2-(2-chloroethyl)-4,6-difluoro-1-(oxan-4-yl)benzimidazole
CID 115509237
2-(chloromethyl)-4,6-difluoro-1-(2-methoxycyclopentyl)benzimidazole
CID 115509428
2-(chloromethyl)-1-(cyclohexylmethyl)-4,6-difluorobenzimidazole
CID 115509193
2-(chloromethyl)-4,6-difluoro-1-(oxan-4-ylmethyl)benzimidazole
CID 115509514
2-(chloromethyl)-4-fluoro-1-(1-methylpiperidin-4-yl)benzimidazole
CID 60788770
2-(chloromethyl)-1-cyclobutyl-6-fluorobenzimidazole
CID 62414806
2-(chloromethyl)-1-cyclopentyl-6-fluorobenzimidazole
CID 62377893
1-cyclooctyl-4,6-difluorobenzimidazol-2-amine
CID 115508550
2-(chloromethyl)-4,6-difluoro-1-(2-methylpropyl)benzimidazole
CID 115509041

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-cyclopropyl-4,6-difluorobenzimidazole?
The IUPAC name of 2-(chloromethyl)-1-cyclopropyl-4,6-difluorobenzimidazole (CID 115509040) is 2-(chloromethyl)-1-cyclopropyl-4,6-difluorobenzimidazole.
What is the SMILES notation for 2-(chloromethyl)-1-cyclopropyl-4,6-difluorobenzimidazole?
The canonical SMILES for 2-(chloromethyl)-1-cyclopropyl-4,6-difluorobenzimidazole is Fc1cc(F)c2nc(CCl)n(C3CC3)c2c1.
What is the InChIKey of 2-(chloromethyl)-1-cyclopropyl-4,6-difluorobenzimidazole?
The InChIKey is GNVSJJWXWWATSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF2N2/c12-5-10-15-11-8(14)3-6(13)4-9(11)16(10)7-1-2-7/h3-4,7H,1-2,5H2.
What are the key properties of 2-(chloromethyl)-1-cyclopropyl-4,6-difluorobenzimidazole?
2-(chloromethyl)-1-cyclopropyl-4,6-difluorobenzimidazole has a molecular weight of 242.66 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-cyclopropyl-4,6-difluorobenzimidazole is sourced from PubChem (CID 115509040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).