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

C17H16FN5S — CID 20811947

IUPAC2-[1-[(1-ethyl-5-fluoro-6-methylbenzimidazol-2-yl)methyl]imidazol-2-yl]-1,3-thiazole
SMILESCCn1c(Cn2ccnc2-c2nccs2)nc2cc(F)c(C)cc21
InChIInChI=1S/C17H16FN5S/c1-3-23-14-8-11(2)12(18)9-13(14)21-15(23)10-22-6-4-19-16(22)17-20-5-7-24-17/h4-9H,3,10H2,1-2H3
InChIKeyVAXWVXUNVDNFGA-UHFFFAOYSA-N
MW341.42 g/mol
LogP3.87
Rot. Bonds4

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

2-[1-[(1-ethyl-5-fluoro-6-methylbenzimidazol-2-yl)methyl]imidazol-2-yl]-1,3-thiazole (PubChem CID 20811947) has the molecular formula C17H16FN5S and a molecular weight of 341.42 g/mol. Its IUPAC name is 2-[1-[(1-ethyl-5-fluoro-6-methylbenzimidazol-2-yl)methyl]imidazol-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-[(1-ethyl-5-fluoro-6-methylbenzimidazol-2-yl)methyl]imidazol-2-yl]-1,3-thiazole
PubChem CID20811947
Molecular FormulaC17H16FN5S
Molecular Weight341.42 g/mol
Exact Mass341.11
IUPAC Name2-[1-[(1-ethyl-5-fluoro-6-methylbenzimidazol-2-yl)methyl]imidazol-2-yl]-1,3-thiazole
SMILESCCn1c(Cn2ccnc2-c2nccs2)nc2cc(F)c(C)cc21
InChIInChI=1S/C17H16FN5S/c1-3-23-14-8-11(2)12(18)9-13(14)21-15(23)10-22-6-4-19-16(22)17-20-5-7-24-17/h4-9H,3,10H2,1-2H3
InChIKeyVAXWVXUNVDNFGA-UHFFFAOYSA-N
XLogP3.87
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-ethyl-5-fluoro-6-methylbenzimidazol-2-yl)methyl]imidazol-2-yl]-1,3-thiazole?
The IUPAC name of 2-[1-[(1-ethyl-5-fluoro-6-methylbenzimidazol-2-yl)methyl]imidazol-2-yl]-1,3-thiazole (CID 20811947) is 2-[1-[(1-ethyl-5-fluoro-6-methylbenzimidazol-2-yl)methyl]imidazol-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-[1-[(1-ethyl-5-fluoro-6-methylbenzimidazol-2-yl)methyl]imidazol-2-yl]-1,3-thiazole?
The canonical SMILES for 2-[1-[(1-ethyl-5-fluoro-6-methylbenzimidazol-2-yl)methyl]imidazol-2-yl]-1,3-thiazole is CCn1c(Cn2ccnc2-c2nccs2)nc2cc(F)c(C)cc21.
What is the InChIKey of 2-[1-[(1-ethyl-5-fluoro-6-methylbenzimidazol-2-yl)methyl]imidazol-2-yl]-1,3-thiazole?
The InChIKey is VAXWVXUNVDNFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5S/c1-3-23-14-8-11(2)12(18)9-13(14)21-15(23)10-22-6-4-19-16(22)17-20-5-7-24-17/h4-9H,3,10H2,1-2H3.
What are the key properties of 2-[1-[(1-ethyl-5-fluoro-6-methylbenzimidazol-2-yl)methyl]imidazol-2-yl]-1,3-thiazole?
2-[1-[(1-ethyl-5-fluoro-6-methylbenzimidazol-2-yl)methyl]imidazol-2-yl]-1,3-thiazole has a molecular weight of 341.42 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-ethyl-5-fluoro-6-methylbenzimidazol-2-yl)methyl]imidazol-2-yl]-1,3-thiazole is sourced from PubChem (CID 20811947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).