4-(4-fluorophenyl)-N-[2-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]ethyl]-1,3-thiazol-2-amine

C20H16F4N4S — CID 24817249

IUPAC4-(4-fluorophenyl)-N-[2-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]ethyl]-1,3-thiazol-2-amine
SMILESCc1nc2cc(C(F)(F)F)ccc2n1CCNc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C20H16F4N4S/c1-12-26-16-10-14(20(22,23)24)4-7-18(16)28(12)9-8-25-19-27-17(11-29-19)13-2-5-15(21)6-3-13/h2-7,10-11H,8-9H2,1H3,(H,25,27)
InChIKeyRBVZANJHDWLLSK-UHFFFAOYSA-N
MW420.44 g/mol
LogP5.74
Rot. Bonds5

About 4-(4-fluorophenyl)-N-[2-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]ethyl]-1,3-thiazol-2-amine

4-(4-fluorophenyl)-N-[2-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]ethyl]-1,3-thiazol-2-amine (PubChem CID 24817249) has the molecular formula C20H16F4N4S and a molecular weight of 420.44 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[2-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[2-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]ethyl]-1,3-thiazol-2-amine
PubChem CID24817249
Molecular FormulaC20H16F4N4S
Molecular Weight420.44 g/mol
Exact Mass420.10
IUPAC Name4-(4-fluorophenyl)-N-[2-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]ethyl]-1,3-thiazol-2-amine
SMILESCc1nc2cc(C(F)(F)F)ccc2n1CCNc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C20H16F4N4S/c1-12-26-16-10-14(20(22,23)24)4-7-18(16)28(12)9-8-25-19-27-17(11-29-19)13-2-5-15(21)6-3-13/h2-7,10-11H,8-9H2,1H3,(H,25,27)
InChIKeyRBVZANJHDWLLSK-UHFFFAOYSA-N
XLogP5.74
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.44
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[2-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-fluorophenyl)-N-[2-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]ethyl]-1,3-thiazol-2-amine (CID 24817249) is 4-(4-fluorophenyl)-N-[2-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[2-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-fluorophenyl)-N-[2-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]ethyl]-1,3-thiazol-2-amine is Cc1nc2cc(C(F)(F)F)ccc2n1CCNc1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[2-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]ethyl]-1,3-thiazol-2-amine?
The InChIKey is RBVZANJHDWLLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F4N4S/c1-12-26-16-10-14(20(22,23)24)4-7-18(16)28(12)9-8-25-19-27-17(11-29-19)13-2-5-15(21)6-3-13/h2-7,10-11H,8-9H2,1H3,(H,25,27).
What are the key properties of 4-(4-fluorophenyl)-N-[2-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]ethyl]-1,3-thiazol-2-amine?
4-(4-fluorophenyl)-N-[2-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]ethyl]-1,3-thiazol-2-amine has a molecular weight of 420.44 g/mol, XLogP of 5.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[2-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 24817249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).