ethyl 4-[2-(fluoromethyl)benzimidazol-1-yl]butanoate

C14H17FN2O2 — CID 155778339

IUPACethyl 4-[2-(fluoromethyl)benzimidazol-1-yl]butanoate
SMILESCCOC(=O)CCCn1c(CF)nc2ccccc21
InChIInChI=1S/C14H17FN2O2/c1-2-19-14(18)8-5-9-17-12-7-4-3-6-11(12)16-13(17)10-15/h3-4,6-7H,2,5,8-10H2,1H3
InChIKeyQRNUPTFSDLTFLQ-UHFFFAOYSA-N
MW264.30 g/mol
LogP2.85
Rot. Bonds6

About ethyl 4-[2-(fluoromethyl)benzimidazol-1-yl]butanoate

ethyl 4-[2-(fluoromethyl)benzimidazol-1-yl]butanoate (PubChem CID 155778339) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is ethyl 4-[2-(fluoromethyl)benzimidazol-1-yl]butanoate.

Molecular Properties

Compound Nameethyl 4-[2-(fluoromethyl)benzimidazol-1-yl]butanoate
PubChem CID155778339
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Nameethyl 4-[2-(fluoromethyl)benzimidazol-1-yl]butanoate
SMILESCCOC(=O)CCCn1c(CF)nc2ccccc21
InChIInChI=1S/C14H17FN2O2/c1-2-19-14(18)8-5-9-17-12-7-4-3-6-11(12)16-13(17)10-15/h3-4,6-7H,2,5,8-10H2,1H3
InChIKeyQRNUPTFSDLTFLQ-UHFFFAOYSA-N
XLogP2.85
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[2-(chloromethyl)benzimidazol-1-yl]butanoate;hydrochloride
CID 162330589
ethyl 5-[2-[[bis[[1-(5-ethoxy-5-oxopentyl)benzimidazol-2-yl]methyl]amino]methyl]benzimidazol-1-yl]pentanoate
CID 71311005
ethyl 4-(1-propylbenzimidazol-2-yl)butanoate
CID 79754222
ethyl 4-(2-phenylbenzimidazol-1-yl)butanoate
CID 155778333
ethyl 4-(2-methylsulfanylbenzimidazol-1-yl)butanoate
CID 155778353
ethyl 4-[2-(chloromethyl)-6-fluorobenzimidazol-1-yl]butanoate
CID 64577778
1,7-bis(2-ethylbenzimidazol-1-yl)heptan-4-one
CID 139073818
4-(2-propylbenzimidazol-1-yl)butanoic acid
CID 46784588
ethyl 4-[2-(piperidin-4-ylamino)benzimidazol-1-yl]butanoate;hydroiodide
CID 86756600
ethyl 4-[2-(2-chloroethyl)-5-iodobenzimidazol-1-yl]butanoate
CID 66082455
ethyl 4-[2-(7-methyl-2-oxochromen-3-yl)benzimidazol-1-yl]butanoate
CID 169196902
ethyl 3-[2-(4-tert-butylphenyl)benzimidazol-1-yl]propanoate
CID 84571450

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(fluoromethyl)benzimidazol-1-yl]butanoate?
The IUPAC name of ethyl 4-[2-(fluoromethyl)benzimidazol-1-yl]butanoate (CID 155778339) is ethyl 4-[2-(fluoromethyl)benzimidazol-1-yl]butanoate.
What is the SMILES notation for ethyl 4-[2-(fluoromethyl)benzimidazol-1-yl]butanoate?
The canonical SMILES for ethyl 4-[2-(fluoromethyl)benzimidazol-1-yl]butanoate is CCOC(=O)CCCn1c(CF)nc2ccccc21.
What is the InChIKey of ethyl 4-[2-(fluoromethyl)benzimidazol-1-yl]butanoate?
The InChIKey is QRNUPTFSDLTFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-2-19-14(18)8-5-9-17-12-7-4-3-6-11(12)16-13(17)10-15/h3-4,6-7H,2,5,8-10H2,1H3.
What are the key properties of ethyl 4-[2-(fluoromethyl)benzimidazol-1-yl]butanoate?
ethyl 4-[2-(fluoromethyl)benzimidazol-1-yl]butanoate has a molecular weight of 264.30 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(fluoromethyl)benzimidazol-1-yl]butanoate is sourced from PubChem (CID 155778339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).