2-(chloromethyl)-4,6-difluoro-1-[(3-fluorophenyl)methyl]benzimidazole

C15H10ClF3N2 — CID 115509080

IUPAC2-(chloromethyl)-4,6-difluoro-1-[(3-fluorophenyl)methyl]benzimidazole
SMILESFc1cccc(Cn2c(CCl)nc3c(F)cc(F)cc32)c1
InChIInChI=1S/C15H10ClF3N2/c16-7-14-20-15-12(19)5-11(18)6-13(15)21(14)8-9-2-1-3-10(17)4-9/h1-6H,7-8H2
InChIKeySWHJVTIEIGCMKU-UHFFFAOYSA-N
MW310.71 g/mol
LogP4.24
Rot. Bonds3

About 2-(chloromethyl)-4,6-difluoro-1-[(3-fluorophenyl)methyl]benzimidazole

2-(chloromethyl)-4,6-difluoro-1-[(3-fluorophenyl)methyl]benzimidazole (PubChem CID 115509080) has the molecular formula C15H10ClF3N2 and a molecular weight of 310.71 g/mol. Its IUPAC name is 2-(chloromethyl)-4,6-difluoro-1-[(3-fluorophenyl)methyl]benzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-4,6-difluoro-1-[(3-fluorophenyl)methyl]benzimidazole
PubChem CID115509080
Molecular FormulaC15H10ClF3N2
Molecular Weight310.71 g/mol
Exact Mass310.05
IUPAC Name2-(chloromethyl)-4,6-difluoro-1-[(3-fluorophenyl)methyl]benzimidazole
SMILESFc1cccc(Cn2c(CCl)nc3c(F)cc(F)cc32)c1
InChIInChI=1S/C15H10ClF3N2/c16-7-14-20-15-12(19)5-11(18)6-13(15)21(14)8-9-2-1-3-10(17)4-9/h1-6H,7-8H2
InChIKeySWHJVTIEIGCMKU-UHFFFAOYSA-N
XLogP4.24
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.71
LogP ≤ 54.24
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)-4,6-difluoro-1-[(3-methylphenyl)methyl]benzimidazole
CID 115509254
2-(chloromethyl)-1-[(3-fluorophenyl)methyl]benzimidazole-4-carbonitrile
CID 104719254
2-(chloromethyl)-4,6-difluoro-1-(thiophen-2-ylmethyl)benzimidazole
CID 113325666
2-(chloromethyl)-6-fluoro-1-[(3-fluorophenyl)methyl]-5-iodobenzimidazole
CID 66100212
2-(chloromethyl)-4,6-difluoro-1-[(5-methylthiophen-2-yl)methyl]benzimidazole
CID 115509425
2-(2-chloroethyl)-4,6-difluoro-1-(pyridin-3-ylmethyl)benzimidazole
CID 115509074
2-(chloromethyl)-1-[(3-chlorophenyl)methyl]-6-fluorobenzimidazole
CID 62533960
2-(chloromethyl)-6,7-difluoro-1-[(3-fluorophenyl)methyl]benzimidazole
CID 62532382
2-(chloromethyl)-4,6-difluoro-1-(2-methylpropyl)benzimidazole
CID 115509041
1-[(4-bromothiophen-2-yl)methyl]-2-(chloromethyl)-4,6-difluorobenzimidazole
CID 115509558
2-[[2-(chloromethyl)-4,6-difluorobenzimidazol-1-yl]methyl]-4-methyl-1,3-thiazole
CID 115509344
2-(chloromethyl)-3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridine
CID 71648916

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4,6-difluoro-1-[(3-fluorophenyl)methyl]benzimidazole?
The IUPAC name of 2-(chloromethyl)-4,6-difluoro-1-[(3-fluorophenyl)methyl]benzimidazole (CID 115509080) is 2-(chloromethyl)-4,6-difluoro-1-[(3-fluorophenyl)methyl]benzimidazole.
What is the SMILES notation for 2-(chloromethyl)-4,6-difluoro-1-[(3-fluorophenyl)methyl]benzimidazole?
The canonical SMILES for 2-(chloromethyl)-4,6-difluoro-1-[(3-fluorophenyl)methyl]benzimidazole is Fc1cccc(Cn2c(CCl)nc3c(F)cc(F)cc32)c1.
What is the InChIKey of 2-(chloromethyl)-4,6-difluoro-1-[(3-fluorophenyl)methyl]benzimidazole?
The InChIKey is SWHJVTIEIGCMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N2/c16-7-14-20-15-12(19)5-11(18)6-13(15)21(14)8-9-2-1-3-10(17)4-9/h1-6H,7-8H2.
What are the key properties of 2-(chloromethyl)-4,6-difluoro-1-[(3-fluorophenyl)methyl]benzimidazole?
2-(chloromethyl)-4,6-difluoro-1-[(3-fluorophenyl)methyl]benzimidazole has a molecular weight of 310.71 g/mol, XLogP of 4.24, 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-[(3-fluorophenyl)methyl]benzimidazole is sourced from PubChem (CID 115509080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).