2-(chloromethyl)-1-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-6-methylbenzimidazole

C14H11Cl2FN2S — CID 103593765

IUPAC2-(chloromethyl)-1-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-6-methylbenzimidazole
SMILESCc1cc2c(cc1F)nc(CCl)n2Cc1ccc(Cl)s1
InChIInChI=1S/C14H11Cl2FN2S/c1-8-4-12-11(5-10(8)17)18-14(6-15)19(12)7-9-2-3-13(16)20-9/h2-5H,6-7H2,1H3
InChIKeyZADCUEKCEGUBER-UHFFFAOYSA-N
MW329.23 g/mol
LogP4.99
Rot. Bonds3

About 2-(chloromethyl)-1-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-6-methylbenzimidazole

2-(chloromethyl)-1-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-6-methylbenzimidazole (PubChem CID 103593765) has the molecular formula C14H11Cl2FN2S and a molecular weight of 329.23 g/mol. Its IUPAC name is 2-(chloromethyl)-1-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-6-methylbenzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-1-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-6-methylbenzimidazole
PubChem CID103593765
Molecular FormulaC14H11Cl2FN2S
Molecular Weight329.23 g/mol
Exact Mass328.00
IUPAC Name2-(chloromethyl)-1-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-6-methylbenzimidazole
SMILESCc1cc2c(cc1F)nc(CCl)n2Cc1ccc(Cl)s1
InChIInChI=1S/C14H11Cl2FN2S/c1-8-4-12-11(5-10(8)17)18-14(6-15)19(12)7-9-2-3-13(16)20-9/h2-5H,6-7H2,1H3
InChIKeyZADCUEKCEGUBER-UHFFFAOYSA-N
XLogP4.99
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 54.99
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

5-[[2-(chloromethyl)-5-fluoro-6-methylbenzimidazol-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
CID 103593596
6-bromo-2-(2-chloroethyl)-1-[(5-chlorothiophen-2-yl)methyl]-5-fluorobenzimidazole
CID 116739134
2-(chloromethyl)-5-fluoro-6-methyl-1-[(1-methylpyrazol-4-yl)methyl]benzimidazole
CID 103593623
2-(chloromethyl)-1-[(5-ethylthiophen-2-yl)methyl]-5-fluorobenzimidazole
CID 106005367
1-[2-(chloromethyl)-5-fluoro-6-methylbenzimidazol-1-yl]-N,N,2-trimethylpropan-2-amine
CID 103593564
2-(chloromethyl)-5-fluoro-6-methyl-1-(2-methylsulfinylethyl)benzimidazole
CID 103593989
2-(chloromethyl)-5-fluoro-6-methyl-1-(4,4,4-trifluorobutyl)benzimidazole
CID 103593897
5-[[2-(2-chloroethyl)-5-fluoro-6-methylbenzimidazol-1-yl]methyl]-1,2-oxazole
CID 106420528
2-(chloromethyl)-4,6-difluoro-1-[(5-methylthiophen-2-yl)methyl]benzimidazole
CID 115509425
2-(chloromethyl)-5-fluoro-6-methyl-1-(thian-2-ylmethyl)benzimidazole
CID 103593869
2-(2-chloroethyl)-5-fluoro-6-methyl-1-[(3-methylthiophen-2-yl)methyl]benzimidazole
CID 103593857
2-[2-[2-(chloromethyl)-5-fluoro-6-methylbenzimidazol-1-yl]ethyl]-4-methyl-1,3-thiazole
CID 103593695

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-6-methylbenzimidazole?
The IUPAC name of 2-(chloromethyl)-1-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-6-methylbenzimidazole (CID 103593765) is 2-(chloromethyl)-1-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-6-methylbenzimidazole.
What is the SMILES notation for 2-(chloromethyl)-1-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-6-methylbenzimidazole?
The canonical SMILES for 2-(chloromethyl)-1-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-6-methylbenzimidazole is Cc1cc2c(cc1F)nc(CCl)n2Cc1ccc(Cl)s1.
What is the InChIKey of 2-(chloromethyl)-1-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-6-methylbenzimidazole?
The InChIKey is ZADCUEKCEGUBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2FN2S/c1-8-4-12-11(5-10(8)17)18-14(6-15)19(12)7-9-2-3-13(16)20-9/h2-5H,6-7H2,1H3.
What are the key properties of 2-(chloromethyl)-1-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-6-methylbenzimidazole?
2-(chloromethyl)-1-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-6-methylbenzimidazole has a molecular weight of 329.23 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-6-methylbenzimidazole is sourced from PubChem (CID 103593765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).