2-(2-chloroethyl)-4-fluoro-1-(thiophen-3-ylmethyl)benzimidazole

C14H12ClFN2S — CID 55173723

IUPAC2-(2-chloroethyl)-4-fluoro-1-(thiophen-3-ylmethyl)benzimidazole
SMILESFc1cccc2c1nc(CCCl)n2Cc1ccsc1
InChIInChI=1S/C14H12ClFN2S/c15-6-4-13-17-14-11(16)2-1-3-12(14)18(13)8-10-5-7-19-9-10/h1-3,5,7,9H,4,6,8H2
InChIKeyWXKCWYVWOIHEAX-UHFFFAOYSA-N
MW294.78 g/mol
LogP4.07
Rot. Bonds4

About 2-(2-chloroethyl)-4-fluoro-1-(thiophen-3-ylmethyl)benzimidazole

2-(2-chloroethyl)-4-fluoro-1-(thiophen-3-ylmethyl)benzimidazole (PubChem CID 55173723) has the molecular formula C14H12ClFN2S and a molecular weight of 294.78 g/mol. Its IUPAC name is 2-(2-chloroethyl)-4-fluoro-1-(thiophen-3-ylmethyl)benzimidazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-4-fluoro-1-(thiophen-3-ylmethyl)benzimidazole
PubChem CID55173723
Molecular FormulaC14H12ClFN2S
Molecular Weight294.78 g/mol
Exact Mass294.04
IUPAC Name2-(2-chloroethyl)-4-fluoro-1-(thiophen-3-ylmethyl)benzimidazole
SMILESFc1cccc2c1nc(CCCl)n2Cc1ccsc1
InChIInChI=1S/C14H12ClFN2S/c15-6-4-13-17-14-11(16)2-1-3-12(14)18(13)8-10-5-7-19-9-10/h1-3,5,7,9H,4,6,8H2
InChIKeyWXKCWYVWOIHEAX-UHFFFAOYSA-N
XLogP4.07
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 54.07
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-chloroethyl)-1-(thiophen-3-ylmethyl)benzimidazole
CID 63246452
2-(2-chloroethyl)-4-fluoro-1-[(6-methyl-3-pyridinyl)methyl]benzimidazole
CID 62991268
2-(2-chloroethyl)-4-fluoro-1-(1-thiophen-3-ylethyl)benzimidazole
CID 62843511
2-(2-chloroethyl)-5-fluoro-6-methoxy-1-(thiophen-3-ylmethyl)benzimidazole
CID 63599156
2-(2-chloroethyl)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]benzimidazole
CID 63295801
2-(2-chloroethyl)-4-fluoro-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzimidazole
CID 62118868
2-(2-chloroethyl)-4-fluoro-1-(3,3,3-trifluoropropyl)benzimidazole
CID 55174174
2-(chloromethyl)-4-fluoro-1-(1-thiophen-3-ylpropan-2-yl)benzimidazole
CID 61477649
2-(2-chloroethyl)-7-methyl-3-(thiophen-3-ylmethyl)imidazo[4,5-b]pyridine
CID 79293233
2-(2-chloroethyl)-4-fluoro-1-(2-methylsulfinylethyl)benzimidazole
CID 113480256
2-(2-chloroethyl)-4-fluoro-1-(5-methylhexyl)benzimidazole
CID 115326562
4-[2-[2-(2-chloroethyl)-4-fluorobenzimidazol-1-yl]ethyl]morpholine
CID 60788983

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-4-fluoro-1-(thiophen-3-ylmethyl)benzimidazole?
The IUPAC name of 2-(2-chloroethyl)-4-fluoro-1-(thiophen-3-ylmethyl)benzimidazole (CID 55173723) is 2-(2-chloroethyl)-4-fluoro-1-(thiophen-3-ylmethyl)benzimidazole.
What is the SMILES notation for 2-(2-chloroethyl)-4-fluoro-1-(thiophen-3-ylmethyl)benzimidazole?
The canonical SMILES for 2-(2-chloroethyl)-4-fluoro-1-(thiophen-3-ylmethyl)benzimidazole is Fc1cccc2c1nc(CCCl)n2Cc1ccsc1.
What is the InChIKey of 2-(2-chloroethyl)-4-fluoro-1-(thiophen-3-ylmethyl)benzimidazole?
The InChIKey is WXKCWYVWOIHEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2S/c15-6-4-13-17-14-11(16)2-1-3-12(14)18(13)8-10-5-7-19-9-10/h1-3,5,7,9H,4,6,8H2.
What are the key properties of 2-(2-chloroethyl)-4-fluoro-1-(thiophen-3-ylmethyl)benzimidazole?
2-(2-chloroethyl)-4-fluoro-1-(thiophen-3-ylmethyl)benzimidazole has a molecular weight of 294.78 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-4-fluoro-1-(thiophen-3-ylmethyl)benzimidazole is sourced from PubChem (CID 55173723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).