2-(1-chloroethyl)-6-fluoro-1-(2-methylcyclopropyl)benzimidazole

C13H14ClFN2 — CID 55071382

IUPAC2-(1-chloroethyl)-6-fluoro-1-(2-methylcyclopropyl)benzimidazole
SMILESCC(Cl)c1nc2ccc(F)cc2n1C1CC1C
InChIInChI=1S/C13H14ClFN2/c1-7-5-11(7)17-12-6-9(15)3-4-10(12)16-13(17)8(2)14/h3-4,6-8,11H,5H2,1-2H3
InChIKeyMBQPYTGIWFPIHJ-UHFFFAOYSA-N
MW252.72 g/mol
LogP4.06
Rot. Bonds2

About 2-(1-chloroethyl)-6-fluoro-1-(2-methylcyclopropyl)benzimidazole

2-(1-chloroethyl)-6-fluoro-1-(2-methylcyclopropyl)benzimidazole (PubChem CID 55071382) has the molecular formula C13H14ClFN2 and a molecular weight of 252.72 g/mol. Its IUPAC name is 2-(1-chloroethyl)-6-fluoro-1-(2-methylcyclopropyl)benzimidazole.

Molecular Properties

Compound Name2-(1-chloroethyl)-6-fluoro-1-(2-methylcyclopropyl)benzimidazole
PubChem CID55071382
Molecular FormulaC13H14ClFN2
Molecular Weight252.72 g/mol
Exact Mass252.08
IUPAC Name2-(1-chloroethyl)-6-fluoro-1-(2-methylcyclopropyl)benzimidazole
SMILESCC(Cl)c1nc2ccc(F)cc2n1C1CC1C
InChIInChI=1S/C13H14ClFN2/c1-7-5-11(7)17-12-6-9(15)3-4-10(12)16-13(17)8(2)14/h3-4,6-8,11H,5H2,1-2H3
InChIKeyMBQPYTGIWFPIHJ-UHFFFAOYSA-N
XLogP4.06
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.72
LogP ≤ 54.06
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-(1-chloroethyl)-1-(1,3-dimethylpiperidin-4-yl)-6-fluorobenzimidazole
CID 114505156
5-chloro-2-(1-chloroethyl)-6-fluoro-1-(2-methylcyclopropyl)benzimidazole
CID 66110630
2-(1-chloroethyl)-1-cycloheptyl-6-fluorobenzimidazole
CID 63545031
2-(1-chloroethyl)-6-fluoro-1-(1-methylpiperidin-4-yl)benzimidazole
CID 62377544
2-(1-chloroethyl)-6-fluoro-1-(oxan-4-yl)benzimidazole
CID 62377905
4-[2-(1-chloroethyl)-6-fluorobenzimidazol-1-yl]pyrrolidin-2-one
CID 106187893
2-(1-chloroethyl)-1-(1,3-dimethylpiperidin-4-yl)-6-methylbenzimidazole
CID 114505103
2-(1-chloroethyl)-6-fluoro-1-[(4-methylphenyl)methyl]benzimidazole
CID 62377194
6-bromo-2-(1-chloroethyl)-5-fluoro-1-(2-methylcyclopentyl)benzimidazole
CID 116739074
6-chloro-2-(1-chloroethyl)-1-cyclopropylbenzimidazole
CID 115470825
2-(1-chloroethyl)-3-(2-methylcyclopropyl)quinazolin-4-one
CID 62409793
methyl 2-[2-(1-chloroethyl)-6-fluorobenzimidazol-1-yl]propanoate
CID 62376529

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-6-fluoro-1-(2-methylcyclopropyl)benzimidazole?
The IUPAC name of 2-(1-chloroethyl)-6-fluoro-1-(2-methylcyclopropyl)benzimidazole (CID 55071382) is 2-(1-chloroethyl)-6-fluoro-1-(2-methylcyclopropyl)benzimidazole.
What is the SMILES notation for 2-(1-chloroethyl)-6-fluoro-1-(2-methylcyclopropyl)benzimidazole?
The canonical SMILES for 2-(1-chloroethyl)-6-fluoro-1-(2-methylcyclopropyl)benzimidazole is CC(Cl)c1nc2ccc(F)cc2n1C1CC1C.
What is the InChIKey of 2-(1-chloroethyl)-6-fluoro-1-(2-methylcyclopropyl)benzimidazole?
The InChIKey is MBQPYTGIWFPIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN2/c1-7-5-11(7)17-12-6-9(15)3-4-10(12)16-13(17)8(2)14/h3-4,6-8,11H,5H2,1-2H3.
What are the key properties of 2-(1-chloroethyl)-6-fluoro-1-(2-methylcyclopropyl)benzimidazole?
2-(1-chloroethyl)-6-fluoro-1-(2-methylcyclopropyl)benzimidazole has a molecular weight of 252.72 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-6-fluoro-1-(2-methylcyclopropyl)benzimidazole is sourced from PubChem (CID 55071382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).