2-(2-chloroethyl)-5-fluoro-6-methoxy-1-(thiophen-3-ylmethyl)benzimidazole

C15H14ClFN2OS — CID 63599156

IUPAC2-(2-chloroethyl)-5-fluoro-6-methoxy-1-(thiophen-3-ylmethyl)benzimidazole
SMILESCOc1cc2c(cc1F)nc(CCCl)n2Cc1ccsc1
InChIInChI=1S/C15H14ClFN2OS/c1-20-14-7-13-12(6-11(14)17)18-15(2-4-16)19(13)8-10-3-5-21-9-10/h3,5-7,9H,2,4,8H2,1H3
InChIKeyJZDTZXMDCZXMJV-UHFFFAOYSA-N
MW324.81 g/mol
LogP4.08
Rot. Bonds5

About 2-(2-chloroethyl)-5-fluoro-6-methoxy-1-(thiophen-3-ylmethyl)benzimidazole

2-(2-chloroethyl)-5-fluoro-6-methoxy-1-(thiophen-3-ylmethyl)benzimidazole (PubChem CID 63599156) has the molecular formula C15H14ClFN2OS and a molecular weight of 324.81 g/mol. Its IUPAC name is 2-(2-chloroethyl)-5-fluoro-6-methoxy-1-(thiophen-3-ylmethyl)benzimidazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-5-fluoro-6-methoxy-1-(thiophen-3-ylmethyl)benzimidazole
PubChem CID63599156
Molecular FormulaC15H14ClFN2OS
Molecular Weight324.81 g/mol
Exact Mass324.05
IUPAC Name2-(2-chloroethyl)-5-fluoro-6-methoxy-1-(thiophen-3-ylmethyl)benzimidazole
SMILESCOc1cc2c(cc1F)nc(CCCl)n2Cc1ccsc1
InChIInChI=1S/C15H14ClFN2OS/c1-20-14-7-13-12(6-11(14)17)18-15(2-4-16)19(13)8-10-3-5-21-9-10/h3,5-7,9H,2,4,8H2,1H3
InChIKeyJZDTZXMDCZXMJV-UHFFFAOYSA-N
XLogP4.08
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-[[2-(2-chloroethyl)-5-fluoro-6-methoxybenzimidazol-1-yl]methyl]-1,2-oxazole
CID 81177225
2-(2-chloroethyl)-1-(thiophen-3-ylmethyl)benzimidazole
CID 63246452
methyl 2-[2-(2-chloroethyl)-5-fluoro-6-methoxybenzimidazol-1-yl]acetate
CID 63597727
2-(2-chloroethyl)-4-fluoro-1-(thiophen-3-ylmethyl)benzimidazole
CID 55173723
2-(chloromethyl)-5-fluoro-6-methoxy-1-(2-thiophen-2-ylethyl)benzimidazole
CID 63598420
4-[2-[2-(chloromethyl)-5-fluoro-6-methoxybenzimidazol-1-yl]ethyl]-1,3-thiazole
CID 63825170
2-(chloromethyl)-5-fluoro-6-methoxy-1-[(5-methylfuran-2-yl)methyl]benzimidazole
CID 63599148
2-(2-chloroethyl)-5-fluoro-1-(1-thiophen-3-ylpropan-2-yl)benzimidazole
CID 61477574
4-[[2-(chloromethyl)-5-fluoro-6-methoxybenzimidazol-1-yl]methyl]-3H-1,3-thiazol-2-one
CID 106382671
2-(2-chloroethyl)-5-fluoro-6-methyl-1-[(3-methylthiophen-2-yl)methyl]benzimidazole
CID 103593857
2-ethyl-1-(thiophen-3-ylmethyl)benzimidazol-5-amine
CID 55175058
2-(2-chloroethyl)-5-fluoro-1-[(4-fluorophenyl)methyl]benzimidazole
CID 43666558

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-5-fluoro-6-methoxy-1-(thiophen-3-ylmethyl)benzimidazole?
The IUPAC name of 2-(2-chloroethyl)-5-fluoro-6-methoxy-1-(thiophen-3-ylmethyl)benzimidazole (CID 63599156) is 2-(2-chloroethyl)-5-fluoro-6-methoxy-1-(thiophen-3-ylmethyl)benzimidazole.
What is the SMILES notation for 2-(2-chloroethyl)-5-fluoro-6-methoxy-1-(thiophen-3-ylmethyl)benzimidazole?
The canonical SMILES for 2-(2-chloroethyl)-5-fluoro-6-methoxy-1-(thiophen-3-ylmethyl)benzimidazole is COc1cc2c(cc1F)nc(CCCl)n2Cc1ccsc1.
What is the InChIKey of 2-(2-chloroethyl)-5-fluoro-6-methoxy-1-(thiophen-3-ylmethyl)benzimidazole?
The InChIKey is JZDTZXMDCZXMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2OS/c1-20-14-7-13-12(6-11(14)17)18-15(2-4-16)19(13)8-10-3-5-21-9-10/h3,5-7,9H,2,4,8H2,1H3.
What are the key properties of 2-(2-chloroethyl)-5-fluoro-6-methoxy-1-(thiophen-3-ylmethyl)benzimidazole?
2-(2-chloroethyl)-5-fluoro-6-methoxy-1-(thiophen-3-ylmethyl)benzimidazole has a molecular weight of 324.81 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-5-fluoro-6-methoxy-1-(thiophen-3-ylmethyl)benzimidazole is sourced from PubChem (CID 63599156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).