6-(1,3-thiazol-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazol-2-amine

C18H13F3N4S — CID 82564660

IUPAC6-(1,3-thiazol-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazol-2-amine
SMILESFC(F)(F)c1ccccc1CNc1nc2ccc(-c3nccs3)cc2[nH]1
InChIInChI=1S/C18H13F3N4S/c19-18(20,21)13-4-2-1-3-12(13)10-23-17-24-14-6-5-11(9-15(14)25-17)16-22-7-8-26-16/h1-9H,10H2,(H2,23,24,25)
InChIKeyGMDGMEGVJAUYPS-UHFFFAOYSA-N
MW374.39 g/mol
LogP5.32
Rot. Bonds4

About 6-(1,3-thiazol-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazol-2-amine

6-(1,3-thiazol-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazol-2-amine (PubChem CID 82564660) has the molecular formula C18H13F3N4S and a molecular weight of 374.39 g/mol. Its IUPAC name is 6-(1,3-thiazol-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name6-(1,3-thiazol-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazol-2-amine
PubChem CID82564660
Molecular FormulaC18H13F3N4S
Molecular Weight374.39 g/mol
Exact Mass374.08
IUPAC Name6-(1,3-thiazol-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazol-2-amine
SMILESFC(F)(F)c1ccccc1CNc1nc2ccc(-c3nccs3)cc2[nH]1
InChIInChI=1S/C18H13F3N4S/c19-18(20,21)13-4-2-1-3-12(13)10-23-17-24-14-6-5-11(9-15(14)25-17)16-22-7-8-26-16/h1-9H,10H2,(H2,23,24,25)
InChIKeyGMDGMEGVJAUYPS-UHFFFAOYSA-N
XLogP5.32
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.39
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(1,3-thiazol-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazol-2-amine?
The IUPAC name of 6-(1,3-thiazol-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazol-2-amine (CID 82564660) is 6-(1,3-thiazol-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazol-2-amine.
What is the SMILES notation for 6-(1,3-thiazol-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazol-2-amine?
The canonical SMILES for 6-(1,3-thiazol-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazol-2-amine is FC(F)(F)c1ccccc1CNc1nc2ccc(-c3nccs3)cc2[nH]1.
What is the InChIKey of 6-(1,3-thiazol-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazol-2-amine?
The InChIKey is GMDGMEGVJAUYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N4S/c19-18(20,21)13-4-2-1-3-12(13)10-23-17-24-14-6-5-11(9-15(14)25-17)16-22-7-8-26-16/h1-9H,10H2,(H2,23,24,25).
What are the key properties of 6-(1,3-thiazol-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazol-2-amine?
6-(1,3-thiazol-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazol-2-amine has a molecular weight of 374.39 g/mol, XLogP of 5.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-thiazol-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 82564660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).