2-[1-[[1-ethyl-6-[4-(trifluoromethyl)phenyl]benzimidazol-2-yl]methyl]imidazol-2-yl]-1,3-thiazole

C23H18F3N5S — CID 20811941

IUPAC2-[1-[[1-ethyl-6-[4-(trifluoromethyl)phenyl]benzimidazol-2-yl]methyl]imidazol-2-yl]-1,3-thiazole
SMILESCCn1c(Cn2ccnc2-c2nccs2)nc2ccc(-c3ccc(C(F)(F)F)cc3)cc21
InChIInChI=1S/C23H18F3N5S/c1-2-31-19-13-16(15-3-6-17(7-4-15)23(24,25)26)5-8-18(19)29-20(31)14-30-11-9-27-21(30)22-28-10-12-32-22/h3-13H,2,14H2,1H3
InChIKeyXRFLZHRSWGIVOK-UHFFFAOYSA-N
MW453.49 g/mol
LogP6.11
Rot. Bonds5

About 2-[1-[[1-ethyl-6-[4-(trifluoromethyl)phenyl]benzimidazol-2-yl]methyl]imidazol-2-yl]-1,3-thiazole

2-[1-[[1-ethyl-6-[4-(trifluoromethyl)phenyl]benzimidazol-2-yl]methyl]imidazol-2-yl]-1,3-thiazole (PubChem CID 20811941) has the molecular formula C23H18F3N5S and a molecular weight of 453.49 g/mol. Its IUPAC name is 2-[1-[[1-ethyl-6-[4-(trifluoromethyl)phenyl]benzimidazol-2-yl]methyl]imidazol-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-[[1-ethyl-6-[4-(trifluoromethyl)phenyl]benzimidazol-2-yl]methyl]imidazol-2-yl]-1,3-thiazole
PubChem CID20811941
Molecular FormulaC23H18F3N5S
Molecular Weight453.49 g/mol
Exact Mass453.12
IUPAC Name2-[1-[[1-ethyl-6-[4-(trifluoromethyl)phenyl]benzimidazol-2-yl]methyl]imidazol-2-yl]-1,3-thiazole
SMILESCCn1c(Cn2ccnc2-c2nccs2)nc2ccc(-c3ccc(C(F)(F)F)cc3)cc21
InChIInChI=1S/C23H18F3N5S/c1-2-31-19-13-16(15-3-6-17(7-4-15)23(24,25)26)5-8-18(19)29-20(31)14-30-11-9-27-21(30)22-28-10-12-32-22/h3-13H,2,14H2,1H3
InChIKeyXRFLZHRSWGIVOK-UHFFFAOYSA-N
XLogP6.11
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.49
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[(1-ethyl-5-fluoro-6-methylbenzimidazol-2-yl)methyl]imidazol-2-yl]-1,3-thiazole
CID 20811947
1-ethyl-2-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-6-(trifluoromethyl)benzimidazole
CID 22379935
2-[1-[[3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazol-2-yl]-1,3-thiazole
CID 20812124
2-[1-[(1-ethyl-6-propan-2-ylimidazo[4,5-c]pyridin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole
CID 20812128
1-ethyl-2-[[2-[6-(trifluoromethyl)-2-pyridinyl]imidazol-1-yl]methyl]benzimidazole
CID 70931583
1-ethyl-5-fluoro-2-[(2-phenylimidazol-1-yl)methyl]benzimidazole
CID 91256666
1-ethyl-5-fluoro-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]benzimidazole
CID 22379969
2-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-methyl-6-(trifluoromethyl)benzimidazole
CID 20811977
1-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]-5-(trifluoromethoxy)benzimidazole
CID 20811938
5-chloro-3-propyl-2-[[2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]imidazo[4,5-b]pyridine
CID 20812018
1-ethyl-2-thiophen-2-yl-5-(trifluoromethyl)benzimidazole
CID 46310424
1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-amine
CID 22380200

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[1-ethyl-6-[4-(trifluoromethyl)phenyl]benzimidazol-2-yl]methyl]imidazol-2-yl]-1,3-thiazole?
The IUPAC name of 2-[1-[[1-ethyl-6-[4-(trifluoromethyl)phenyl]benzimidazol-2-yl]methyl]imidazol-2-yl]-1,3-thiazole (CID 20811941) is 2-[1-[[1-ethyl-6-[4-(trifluoromethyl)phenyl]benzimidazol-2-yl]methyl]imidazol-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-[1-[[1-ethyl-6-[4-(trifluoromethyl)phenyl]benzimidazol-2-yl]methyl]imidazol-2-yl]-1,3-thiazole?
The canonical SMILES for 2-[1-[[1-ethyl-6-[4-(trifluoromethyl)phenyl]benzimidazol-2-yl]methyl]imidazol-2-yl]-1,3-thiazole is CCn1c(Cn2ccnc2-c2nccs2)nc2ccc(-c3ccc(C(F)(F)F)cc3)cc21.
What is the InChIKey of 2-[1-[[1-ethyl-6-[4-(trifluoromethyl)phenyl]benzimidazol-2-yl]methyl]imidazol-2-yl]-1,3-thiazole?
The InChIKey is XRFLZHRSWGIVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N5S/c1-2-31-19-13-16(15-3-6-17(7-4-15)23(24,25)26)5-8-18(19)29-20(31)14-30-11-9-27-21(30)22-28-10-12-32-22/h3-13H,2,14H2,1H3.
What are the key properties of 2-[1-[[1-ethyl-6-[4-(trifluoromethyl)phenyl]benzimidazol-2-yl]methyl]imidazol-2-yl]-1,3-thiazole?
2-[1-[[1-ethyl-6-[4-(trifluoromethyl)phenyl]benzimidazol-2-yl]methyl]imidazol-2-yl]-1,3-thiazole has a molecular weight of 453.49 g/mol, XLogP of 6.11, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[1-ethyl-6-[4-(trifluoromethyl)phenyl]benzimidazol-2-yl]methyl]imidazol-2-yl]-1,3-thiazole is sourced from PubChem (CID 20811941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).