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

C14H18ClFN2O — CID 113477854

IUPAC2-(1-chloroethyl)-1-(2-ethoxypropyl)-5-fluorobenzimidazole
SMILESCCOC(C)Cn1c(C(C)Cl)nc2cc(F)ccc21
InChIInChI=1S/C14H18ClFN2O/c1-4-19-9(2)8-18-13-6-5-11(16)7-12(13)17-14(18)10(3)15/h5-7,9-10H,4,8H2,1-3H3
InChIKeyVTOBTZIEKASIDM-UHFFFAOYSA-N
MW284.76 g/mol
LogP3.90
Rot. Bonds5

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

2-(1-chloroethyl)-1-(2-ethoxypropyl)-5-fluorobenzimidazole (PubChem CID 113477854) has the molecular formula C14H18ClFN2O and a molecular weight of 284.76 g/mol. Its IUPAC name is 2-(1-chloroethyl)-1-(2-ethoxypropyl)-5-fluorobenzimidazole.

Molecular Properties

Compound Name2-(1-chloroethyl)-1-(2-ethoxypropyl)-5-fluorobenzimidazole
PubChem CID113477854
Molecular FormulaC14H18ClFN2O
Molecular Weight284.76 g/mol
Exact Mass284.11
IUPAC Name2-(1-chloroethyl)-1-(2-ethoxypropyl)-5-fluorobenzimidazole
SMILESCCOC(C)Cn1c(C(C)Cl)nc2cc(F)ccc21
InChIInChI=1S/C14H18ClFN2O/c1-4-19-9(2)8-18-13-6-5-11(16)7-12(13)17-14(18)10(3)15/h5-7,9-10H,4,8H2,1-3H3
InChIKeyVTOBTZIEKASIDM-UHFFFAOYSA-N
XLogP3.90
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.76
LogP ≤ 53.90
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-(1-chloroethyl)-5-fluoro-1-(2-methyl-3-methylsulfanylpropyl)benzimidazole
CID 63960208
2-(1-chloroethyl)-5-fluoro-1-(2-methoxy-2-methylpropyl)benzimidazole
CID 104763471
3-[2-(1-chloroethyl)-5-fluorobenzimidazol-1-yl]-N,N,2,2-tetramethylpropan-1-amine
CID 43666167
2-(1-chloroethyl)-5-fluoro-1-[(3-methylphenyl)methyl]benzimidazole
CID 60902916
2-(1-chloroethyl)-5-fluoro-1-(furan-2-ylmethyl)benzimidazole
CID 43666310
2-(1-chloroethyl)-5-fluoro-1-[(1-methylpyrazol-3-yl)methyl]benzimidazole
CID 82874425
4-[2-(1-chloroethyl)-5-fluorobenzimidazol-1-yl]butanamide
CID 60863436
2-chloro-5-fluoro-1-(2-methylpropyl)benzimidazole
CID 84791133
2-[[2-(1-chloroethyl)-5-fluorobenzimidazol-1-yl]methyl]-5-methyl-1,3-oxazole
CID 106375758
2-(1-chloroethyl)-6-fluoro-5-iodo-1-(2-methoxypropyl)benzimidazole
CID 102699500
2-[2-(1-chloroethyl)-5-fluorobenzimidazol-1-yl]-N-cyclopropylacetamide
CID 43667749
2-(1-chloroethyl)-5-fluoro-1-piperidin-1-ylbenzimidazole
CID 83018003

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-1-(2-ethoxypropyl)-5-fluorobenzimidazole?
The IUPAC name of 2-(1-chloroethyl)-1-(2-ethoxypropyl)-5-fluorobenzimidazole (CID 113477854) is 2-(1-chloroethyl)-1-(2-ethoxypropyl)-5-fluorobenzimidazole.
What is the SMILES notation for 2-(1-chloroethyl)-1-(2-ethoxypropyl)-5-fluorobenzimidazole?
The canonical SMILES for 2-(1-chloroethyl)-1-(2-ethoxypropyl)-5-fluorobenzimidazole is CCOC(C)Cn1c(C(C)Cl)nc2cc(F)ccc21.
What is the InChIKey of 2-(1-chloroethyl)-1-(2-ethoxypropyl)-5-fluorobenzimidazole?
The InChIKey is VTOBTZIEKASIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2O/c1-4-19-9(2)8-18-13-6-5-11(16)7-12(13)17-14(18)10(3)15/h5-7,9-10H,4,8H2,1-3H3.
What are the key properties of 2-(1-chloroethyl)-1-(2-ethoxypropyl)-5-fluorobenzimidazole?
2-(1-chloroethyl)-1-(2-ethoxypropyl)-5-fluorobenzimidazole has a molecular weight of 284.76 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-1-(2-ethoxypropyl)-5-fluorobenzimidazole is sourced from PubChem (CID 113477854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).