2-(2-chloroethyl)-1-(1-ethylcyclobutyl)-5-fluorobenzimidazole

C15H18ClFN2 — CID 113488945

IUPAC2-(2-chloroethyl)-1-(1-ethylcyclobutyl)-5-fluorobenzimidazole
SMILESCCC1(n2c(CCCl)nc3cc(F)ccc32)CCC1
InChIInChI=1S/C15H18ClFN2/c1-2-15(7-3-8-15)19-13-5-4-11(17)10-12(13)18-14(19)6-9-16/h4-5,10H,2-3,6-9H2,1H3
InChIKeyCHVUHUJGIGFSCG-UHFFFAOYSA-N
MW280.77 g/mol
LogP4.25
Rot. Bonds4

About 2-(2-chloroethyl)-1-(1-ethylcyclobutyl)-5-fluorobenzimidazole

2-(2-chloroethyl)-1-(1-ethylcyclobutyl)-5-fluorobenzimidazole (PubChem CID 113488945) has the molecular formula C15H18ClFN2 and a molecular weight of 280.77 g/mol. Its IUPAC name is 2-(2-chloroethyl)-1-(1-ethylcyclobutyl)-5-fluorobenzimidazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-1-(1-ethylcyclobutyl)-5-fluorobenzimidazole
PubChem CID113488945
Molecular FormulaC15H18ClFN2
Molecular Weight280.77 g/mol
Exact Mass280.11
IUPAC Name2-(2-chloroethyl)-1-(1-ethylcyclobutyl)-5-fluorobenzimidazole
SMILESCCC1(n2c(CCCl)nc3cc(F)ccc32)CCC1
InChIInChI=1S/C15H18ClFN2/c1-2-15(7-3-8-15)19-13-5-4-11(17)10-12(13)18-14(19)6-9-16/h4-5,10H,2-3,6-9H2,1H3
InChIKeyCHVUHUJGIGFSCG-UHFFFAOYSA-N
XLogP4.25
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.77
LogP ≤ 54.25
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-(2-chloroethyl)-5-fluoro-1-(1-methylcyclobutyl)benzimidazole
CID 113485698
2-(2-chloroethyl)-5-fluoro-1-[(1-methylcyclopentyl)methyl]benzimidazole
CID 63831945
2-(2-chloroethyl)-5-fluoro-1-[2-(1-methylpyrazol-4-yl)ethyl]benzimidazole
CID 80685395
1-butan-2-yl-2-(2-chloroethyl)-5-fluorobenzimidazole
CID 43666323
2-(2-chloroethyl)-5-fluoro-1-(2-pyrrolidin-1-ylethyl)benzimidazole
CID 62641115
2-(2-chloroethyl)-5-fluoro-1-[(4-fluorophenyl)methyl]benzimidazole
CID 43666558
2-(2-chloroethyl)-1-ethyl-6-fluorobenzimidazole
CID 62377536
2-(2-chloroethyl)-5-fluoro-1-[(2-methylcyclohexyl)methyl]benzimidazole
CID 63546675
2-(2-chloroethyl)-5-fluoro-1-(3-fluoro-5-methylphenyl)benzimidazole
CID 79044549
2-(2-chloroethyl)-1-(2,2-dimethylcyclopentyl)-6-fluorobenzimidazole
CID 79870114
2-(2-chloroethyl)-5-fluoro-1-(1-pyrazol-1-ylpropan-2-yl)benzimidazole
CID 61461245
1-(1-ethylcyclobutyl)-5-methylbenzimidazol-2-amine
CID 113488927

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-1-(1-ethylcyclobutyl)-5-fluorobenzimidazole?
The IUPAC name of 2-(2-chloroethyl)-1-(1-ethylcyclobutyl)-5-fluorobenzimidazole (CID 113488945) is 2-(2-chloroethyl)-1-(1-ethylcyclobutyl)-5-fluorobenzimidazole.
What is the SMILES notation for 2-(2-chloroethyl)-1-(1-ethylcyclobutyl)-5-fluorobenzimidazole?
The canonical SMILES for 2-(2-chloroethyl)-1-(1-ethylcyclobutyl)-5-fluorobenzimidazole is CCC1(n2c(CCCl)nc3cc(F)ccc32)CCC1.
What is the InChIKey of 2-(2-chloroethyl)-1-(1-ethylcyclobutyl)-5-fluorobenzimidazole?
The InChIKey is CHVUHUJGIGFSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN2/c1-2-15(7-3-8-15)19-13-5-4-11(17)10-12(13)18-14(19)6-9-16/h4-5,10H,2-3,6-9H2,1H3.
What are the key properties of 2-(2-chloroethyl)-1-(1-ethylcyclobutyl)-5-fluorobenzimidazole?
2-(2-chloroethyl)-1-(1-ethylcyclobutyl)-5-fluorobenzimidazole has a molecular weight of 280.77 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-1-(1-ethylcyclobutyl)-5-fluorobenzimidazole is sourced from PubChem (CID 113488945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).