2-[2-(chloromethyl)-6-fluorobenzimidazol-1-yl]-6-fluorobenzonitrile

C15H8ClF2N3 — CID 62377548

IUPAC2-[2-(chloromethyl)-6-fluorobenzimidazol-1-yl]-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1-n1c(CCl)nc2ccc(F)cc21
InChIInChI=1S/C15H8ClF2N3/c16-7-15-20-12-5-4-9(17)6-14(12)21(15)13-3-1-2-11(18)10(13)8-19/h1-6H,7H2
InChIKeyUIUNUMWCBNTZRQ-UHFFFAOYSA-N
MW303.70 g/mol
LogP3.91
Rot. Bonds2

About 2-[2-(chloromethyl)-6-fluorobenzimidazol-1-yl]-6-fluorobenzonitrile

2-[2-(chloromethyl)-6-fluorobenzimidazol-1-yl]-6-fluorobenzonitrile (PubChem CID 62377548) has the molecular formula C15H8ClF2N3 and a molecular weight of 303.70 g/mol. Its IUPAC name is 2-[2-(chloromethyl)-6-fluorobenzimidazol-1-yl]-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-[2-(chloromethyl)-6-fluorobenzimidazol-1-yl]-6-fluorobenzonitrile
PubChem CID62377548
Molecular FormulaC15H8ClF2N3
Molecular Weight303.70 g/mol
Exact Mass303.04
IUPAC Name2-[2-(chloromethyl)-6-fluorobenzimidazol-1-yl]-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1-n1c(CCl)nc2ccc(F)cc21
InChIInChI=1S/C15H8ClF2N3/c16-7-15-20-12-5-4-9(17)6-14(12)21(15)13-3-1-2-11(18)10(13)8-19/h1-6H,7H2
InChIKeyUIUNUMWCBNTZRQ-UHFFFAOYSA-N
XLogP3.91
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.70
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(chloromethyl)-4-fluorobenzimidazol-1-yl]-6-fluorobenzonitrile
CID 60789752
2-(chloromethyl)-6-fluoro-1-(2,3,4-trifluorophenyl)benzimidazole
CID 62378416
2-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]-6-fluorobenzonitrile
CID 79277087
2-[6-bromo-2-(chloromethyl)-5-fluorobenzimidazol-1-yl]benzonitrile
CID 116738695
2-(chloromethyl)-1-(2,3-dichlorophenyl)-5-fluorobenzimidazole
CID 43660685
2-(chloromethyl)-3-(2-methoxyphenyl)benzimidazole-5-carbonitrile
CID 104715332
2-(chloromethyl)-3-(2-fluoro-5-methylphenyl)benzimidazole-5-carbonitrile
CID 104715399
3-bromo-4-[2-(chloromethyl)-5-fluorobenzimidazol-1-yl]benzonitrile
CID 107791843
2-[2-(chloromethyl)-5-iodobenzimidazol-1-yl]-5-fluorobenzonitrile
CID 82684234
2-(chloromethyl)-1-(2,5-difluorophenyl)-6-fluoro-5-iodobenzimidazole
CID 66094043
5-bromo-2-(chloromethyl)-6-fluoro-1-(3-fluoro-2-methylphenyl)benzimidazole
CID 66087694
2-[6-bromo-2-(chloromethyl)benzimidazol-1-yl]-4-chlorobenzonitrile
CID 65346123

Frequently Asked Questions

What is the IUPAC name of 2-[2-(chloromethyl)-6-fluorobenzimidazol-1-yl]-6-fluorobenzonitrile?
The IUPAC name of 2-[2-(chloromethyl)-6-fluorobenzimidazol-1-yl]-6-fluorobenzonitrile (CID 62377548) is 2-[2-(chloromethyl)-6-fluorobenzimidazol-1-yl]-6-fluorobenzonitrile.
What is the SMILES notation for 2-[2-(chloromethyl)-6-fluorobenzimidazol-1-yl]-6-fluorobenzonitrile?
The canonical SMILES for 2-[2-(chloromethyl)-6-fluorobenzimidazol-1-yl]-6-fluorobenzonitrile is N#Cc1c(F)cccc1-n1c(CCl)nc2ccc(F)cc21.
What is the InChIKey of 2-[2-(chloromethyl)-6-fluorobenzimidazol-1-yl]-6-fluorobenzonitrile?
The InChIKey is UIUNUMWCBNTZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClF2N3/c16-7-15-20-12-5-4-9(17)6-14(12)21(15)13-3-1-2-11(18)10(13)8-19/h1-6H,7H2.
What are the key properties of 2-[2-(chloromethyl)-6-fluorobenzimidazol-1-yl]-6-fluorobenzonitrile?
2-[2-(chloromethyl)-6-fluorobenzimidazol-1-yl]-6-fluorobenzonitrile has a molecular weight of 303.70 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(chloromethyl)-6-fluorobenzimidazol-1-yl]-6-fluorobenzonitrile is sourced from PubChem (CID 62377548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).