2-[2-[2-(chloromethyl)-5-fluoro-6-methylbenzimidazol-1-yl]ethyl]-4-methyl-1,3-thiazole

C15H15ClFN3S — CID 103593695

IUPAC2-[2-[2-(chloromethyl)-5-fluoro-6-methylbenzimidazol-1-yl]ethyl]-4-methyl-1,3-thiazole
SMILESCc1csc(CCn2c(CCl)nc3cc(F)c(C)cc32)n1
InChIInChI=1S/C15H15ClFN3S/c1-9-5-13-12(6-11(9)17)19-14(7-16)20(13)4-3-15-18-10(2)8-21-15/h5-6,8H,3-4,7H2,1-2H3
InChIKeyMUTTWSOWJIXAKI-UHFFFAOYSA-N
MW323.82 g/mol
LogP4.23
Rot. Bonds4

About 2-[2-[2-(chloromethyl)-5-fluoro-6-methylbenzimidazol-1-yl]ethyl]-4-methyl-1,3-thiazole

2-[2-[2-(chloromethyl)-5-fluoro-6-methylbenzimidazol-1-yl]ethyl]-4-methyl-1,3-thiazole (PubChem CID 103593695) has the molecular formula C15H15ClFN3S and a molecular weight of 323.82 g/mol. Its IUPAC name is 2-[2-[2-(chloromethyl)-5-fluoro-6-methylbenzimidazol-1-yl]ethyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[2-[2-(chloromethyl)-5-fluoro-6-methylbenzimidazol-1-yl]ethyl]-4-methyl-1,3-thiazole
PubChem CID103593695
Molecular FormulaC15H15ClFN3S
Molecular Weight323.82 g/mol
Exact Mass323.07
IUPAC Name2-[2-[2-(chloromethyl)-5-fluoro-6-methylbenzimidazol-1-yl]ethyl]-4-methyl-1,3-thiazole
SMILESCc1csc(CCn2c(CCl)nc3cc(F)c(C)cc32)n1
InChIInChI=1S/C15H15ClFN3S/c1-9-5-13-12(6-11(9)17)19-14(7-16)20(13)4-3-15-18-10(2)8-21-15/h5-6,8H,3-4,7H2,1-2H3
InChIKeyMUTTWSOWJIXAKI-UHFFFAOYSA-N
XLogP4.23
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
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

2-[2-[6-bromo-2-(chloromethyl)benzimidazol-1-yl]ethyl]-4-methyl-1,3-thiazole
CID 65346474
2-[2-[6-bromo-2-(2-chloroethyl)benzimidazol-1-yl]ethyl]-4-methyl-1,3-thiazole
CID 65346520
2-(chloromethyl)-5-fluoro-6-methyl-1-(4,4,4-trifluorobutyl)benzimidazole
CID 103593897
2-(chloromethyl)-5-fluoro-6-methyl-1-(2-methylsulfinylethyl)benzimidazole
CID 103593989
2-[2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]ethyl]-4-methyl-1,3-thiazole
CID 115323009
1-[2-(chloromethyl)-5-fluoro-6-methylbenzimidazol-1-yl]-N,N,2-trimethylpropan-2-amine
CID 103593564
5-fluoro-6-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine
CID 103592941
2-[2-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]-4-methyl-1,3-thiazole
CID 79288614
2-(chloromethyl)-5-fluoro-6-methyl-1-[(1-methylpyrazol-4-yl)methyl]benzimidazole
CID 103593623
2-(chloromethyl)-1-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-6-methylbenzimidazole
CID 103593765
2-[[6-bromo-2-(chloromethyl)benzimidazol-1-yl]methyl]-4-methyl-1,3-thiazole
CID 65346277
2-(chloromethyl)-5-fluoro-6-methyl-1-(thian-2-ylmethyl)benzimidazole
CID 103593869

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(chloromethyl)-5-fluoro-6-methylbenzimidazol-1-yl]ethyl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[2-[2-(chloromethyl)-5-fluoro-6-methylbenzimidazol-1-yl]ethyl]-4-methyl-1,3-thiazole (CID 103593695) is 2-[2-[2-(chloromethyl)-5-fluoro-6-methylbenzimidazol-1-yl]ethyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[2-[2-(chloromethyl)-5-fluoro-6-methylbenzimidazol-1-yl]ethyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[2-[2-(chloromethyl)-5-fluoro-6-methylbenzimidazol-1-yl]ethyl]-4-methyl-1,3-thiazole is Cc1csc(CCn2c(CCl)nc3cc(F)c(C)cc32)n1.
What is the InChIKey of 2-[2-[2-(chloromethyl)-5-fluoro-6-methylbenzimidazol-1-yl]ethyl]-4-methyl-1,3-thiazole?
The InChIKey is MUTTWSOWJIXAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3S/c1-9-5-13-12(6-11(9)17)19-14(7-16)20(13)4-3-15-18-10(2)8-21-15/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of 2-[2-[2-(chloromethyl)-5-fluoro-6-methylbenzimidazol-1-yl]ethyl]-4-methyl-1,3-thiazole?
2-[2-[2-(chloromethyl)-5-fluoro-6-methylbenzimidazol-1-yl]ethyl]-4-methyl-1,3-thiazole has a molecular weight of 323.82 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(chloromethyl)-5-fluoro-6-methylbenzimidazol-1-yl]ethyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 103593695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).