N-[2-[3-fluoro-5-(trifluoromethyl)phenyl]-6-methyl-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine

C23H15F4N5S — CID 90467112

IUPACN-[2-[3-fluoro-5-(trifluoromethyl)phenyl]-6-methyl-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine
SMILESCc1cc2[nH]c(-c3cc(F)cc(C(F)(F)F)c3)nc2cc1Nc1nc(-c2cccnc2)cs1
InChIInChI=1S/C23H15F4N5S/c1-12-5-18-19(30-21(29-18)14-6-15(23(25,26)27)8-16(24)7-14)9-17(12)31-22-32-20(11-33-22)13-3-2-4-28-10-13/h2-11H,1H3,(H,29,30)(H,31,32)
InChIKeyQZRDHGWYEGGXEG-UHFFFAOYSA-N
MW469.47 g/mol
LogP6.96
Rot. Bonds4

About N-[2-[3-fluoro-5-(trifluoromethyl)phenyl]-6-methyl-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine

N-[2-[3-fluoro-5-(trifluoromethyl)phenyl]-6-methyl-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine (PubChem CID 90467112) has the molecular formula C23H15F4N5S and a molecular weight of 469.47 g/mol. Its IUPAC name is N-[2-[3-fluoro-5-(trifluoromethyl)phenyl]-6-methyl-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-[3-fluoro-5-(trifluoromethyl)phenyl]-6-methyl-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine
PubChem CID90467112
Molecular FormulaC23H15F4N5S
Molecular Weight469.47 g/mol
Exact Mass469.10
IUPAC NameN-[2-[3-fluoro-5-(trifluoromethyl)phenyl]-6-methyl-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine
SMILESCc1cc2[nH]c(-c3cc(F)cc(C(F)(F)F)c3)nc2cc1Nc1nc(-c2cccnc2)cs1
InChIInChI=1S/C23H15F4N5S/c1-12-5-18-19(30-21(29-18)14-6-15(23(25,26)27)8-16(24)7-14)9-17(12)31-22-32-20(11-33-22)13-3-2-4-28-10-13/h2-11H,1H3,(H,29,30)(H,31,32)
InChIKeyQZRDHGWYEGGXEG-UHFFFAOYSA-N
XLogP6.96
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.47
LogP ≤ 56.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-fluoro-5-(trifluoromethyl)phenyl]-6-methyl-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
The IUPAC name of N-[2-[3-fluoro-5-(trifluoromethyl)phenyl]-6-methyl-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine (CID 90467112) is N-[2-[3-fluoro-5-(trifluoromethyl)phenyl]-6-methyl-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-[3-fluoro-5-(trifluoromethyl)phenyl]-6-methyl-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-[3-fluoro-5-(trifluoromethyl)phenyl]-6-methyl-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine is Cc1cc2[nH]c(-c3cc(F)cc(C(F)(F)F)c3)nc2cc1Nc1nc(-c2cccnc2)cs1.
What is the InChIKey of N-[2-[3-fluoro-5-(trifluoromethyl)phenyl]-6-methyl-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
The InChIKey is QZRDHGWYEGGXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F4N5S/c1-12-5-18-19(30-21(29-18)14-6-15(23(25,26)27)8-16(24)7-14)9-17(12)31-22-32-20(11-33-22)13-3-2-4-28-10-13/h2-11H,1H3,(H,29,30)(H,31,32).
What are the key properties of N-[2-[3-fluoro-5-(trifluoromethyl)phenyl]-6-methyl-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
N-[2-[3-fluoro-5-(trifluoromethyl)phenyl]-6-methyl-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine has a molecular weight of 469.47 g/mol, XLogP of 6.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-fluoro-5-(trifluoromethyl)phenyl]-6-methyl-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 90467112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).