2-(chloromethyl)-5-fluoro-6-methoxy-1-(2-thiophen-2-ylethyl)benzimidazole

C15H14ClFN2OS — CID 63598420

IUPAC2-(chloromethyl)-5-fluoro-6-methoxy-1-(2-thiophen-2-ylethyl)benzimidazole
SMILESCOc1cc2c(cc1F)nc(CCl)n2CCc1cccs1
InChIInChI=1S/C15H14ClFN2OS/c1-20-14-8-13-12(7-11(14)17)18-15(9-16)19(13)5-4-10-3-2-6-21-10/h2-3,6-8H,4-5,9H2,1H3
InChIKeyQMVINLSSQSCOLI-UHFFFAOYSA-N
MW324.81 g/mol
LogP4.23
Rot. Bonds5

About 2-(chloromethyl)-5-fluoro-6-methoxy-1-(2-thiophen-2-ylethyl)benzimidazole

2-(chloromethyl)-5-fluoro-6-methoxy-1-(2-thiophen-2-ylethyl)benzimidazole (PubChem CID 63598420) has the molecular formula C15H14ClFN2OS and a molecular weight of 324.81 g/mol. Its IUPAC name is 2-(chloromethyl)-5-fluoro-6-methoxy-1-(2-thiophen-2-ylethyl)benzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-5-fluoro-6-methoxy-1-(2-thiophen-2-ylethyl)benzimidazole
PubChem CID63598420
Molecular FormulaC15H14ClFN2OS
Molecular Weight324.81 g/mol
Exact Mass324.05
IUPAC Name2-(chloromethyl)-5-fluoro-6-methoxy-1-(2-thiophen-2-ylethyl)benzimidazole
SMILESCOc1cc2c(cc1F)nc(CCl)n2CCc1cccs1
InChIInChI=1S/C15H14ClFN2OS/c1-20-14-8-13-12(7-11(14)17)18-15(9-16)19(13)5-4-10-3-2-6-21-10/h2-3,6-8H,4-5,9H2,1H3
InChIKeyQMVINLSSQSCOLI-UHFFFAOYSA-N
XLogP4.23
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 ≤ 54.23
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

5-fluoro-6-methoxy-1-(2-thiophen-2-ylethyl)benzimidazol-2-amine
CID 63599810
4-[2-[2-(chloromethyl)-5-fluoro-6-methoxybenzimidazol-1-yl]ethyl]-1,3-thiazole
CID 63825170
2-(chloromethyl)-5-fluoro-6-methoxy-1-pentylbenzimidazole
CID 63598932
2-(chloromethyl)-5-fluoro-6-methoxy-1-(3-methylsulfanylpropyl)benzimidazole
CID 63959546
2-(chloromethyl)-5-fluoro-6-methoxy-1-[2-(2-methoxyethoxy)ethyl]benzimidazole
CID 63598961
2-(chloromethyl)-5-fluoro-6-methoxy-1-[(5-methylfuran-2-yl)methyl]benzimidazole
CID 63599148
1-[2-(chloromethyl)-5-fluoro-6-methoxybenzimidazol-1-yl]-N,N-dimethylpropan-2-amine
CID 63598965
2-(chloromethyl)-5,6-dimethoxy-1-(2-methoxyethyl)benzimidazole
CID 83007863
2-(chloromethyl)-7-methyl-1-(2-thiophen-2-ylethyl)benzimidazole
CID 115552755
4-[[2-(chloromethyl)-5-fluoro-6-methoxybenzimidazol-1-yl]methyl]-3H-1,3-thiazol-2-one
CID 106382671
4-chloro-2-(chloromethyl)-1-(2-thiophen-2-ylethyl)benzimidazole
CID 104837421
ethyl 2-[2-(chloromethyl)-5-fluoro-6-methoxybenzimidazol-1-yl]acetate
CID 63599125

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-fluoro-6-methoxy-1-(2-thiophen-2-ylethyl)benzimidazole?
The IUPAC name of 2-(chloromethyl)-5-fluoro-6-methoxy-1-(2-thiophen-2-ylethyl)benzimidazole (CID 63598420) is 2-(chloromethyl)-5-fluoro-6-methoxy-1-(2-thiophen-2-ylethyl)benzimidazole.
What is the SMILES notation for 2-(chloromethyl)-5-fluoro-6-methoxy-1-(2-thiophen-2-ylethyl)benzimidazole?
The canonical SMILES for 2-(chloromethyl)-5-fluoro-6-methoxy-1-(2-thiophen-2-ylethyl)benzimidazole is COc1cc2c(cc1F)nc(CCl)n2CCc1cccs1.
What is the InChIKey of 2-(chloromethyl)-5-fluoro-6-methoxy-1-(2-thiophen-2-ylethyl)benzimidazole?
The InChIKey is QMVINLSSQSCOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2OS/c1-20-14-8-13-12(7-11(14)17)18-15(9-16)19(13)5-4-10-3-2-6-21-10/h2-3,6-8H,4-5,9H2,1H3.
What are the key properties of 2-(chloromethyl)-5-fluoro-6-methoxy-1-(2-thiophen-2-ylethyl)benzimidazole?
2-(chloromethyl)-5-fluoro-6-methoxy-1-(2-thiophen-2-ylethyl)benzimidazole has a molecular weight of 324.81 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-fluoro-6-methoxy-1-(2-thiophen-2-ylethyl)benzimidazole is sourced from PubChem (CID 63598420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).