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

C46H32F6N10OS2 — CID 121363120

IUPACN-[1-methyl-2-[3-(trifluoromethoxy)phenyl]benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine;N-[1-methyl-2-[3-(trifluoromethyl)phenyl]benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine
SMILESCn1c(-c2cccc(C(F)(F)F)c2)nc2cc(Nc3nc(-c4cccnc4)cs3)ccc21.Cn1c(-c2cccc(OC(F)(F)F)c2)nc2cc(Nc3nc(-c4cccnc4)cs3)ccc21
InChIInChI=1S/C23H16F3N5OS.C23H16F3N5S/c1-31-20-8-7-16(28-22-30-19(13-33-22)15-5-3-9-27-12-15)11-18(20)29-21(31)14-4-2-6-17(10-14)32-23(24,25)26;1-31-20-8-7-17(28-22-30-19(13-32-22)15-5-3-9-27-12-15)11-18(20)29-21(31)14-4-2-6-16(10-14)23(24,25)26/h2-13H,1H3,(H,28,30);2-13H,1H3,(H,28,30)
InChIKeyIRPAHNXSJKJUGB-UHFFFAOYSA-N
MW918.95 g/mol
LogP12.92
Rot. Bonds9

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

N-[1-methyl-2-[3-(trifluoromethoxy)phenyl]benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine;N-[1-methyl-2-[3-(trifluoromethyl)phenyl]benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine (PubChem CID 121363120) has the molecular formula C46H32F6N10OS2 and a molecular weight of 918.95 g/mol. Its IUPAC name is N-[1-methyl-2-[3-(trifluoromethoxy)phenyl]benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine;N-[1-methyl-2-[3-(trifluoromethyl)phenyl]benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[1-methyl-2-[3-(trifluoromethoxy)phenyl]benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine;N-[1-methyl-2-[3-(trifluoromethyl)phenyl]benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine
PubChem CID121363120
Molecular FormulaC46H32F6N10OS2
Molecular Weight918.95 g/mol
Exact Mass918.21
IUPAC NameN-[1-methyl-2-[3-(trifluoromethoxy)phenyl]benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine;N-[1-methyl-2-[3-(trifluoromethyl)phenyl]benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine
SMILESCn1c(-c2cccc(C(F)(F)F)c2)nc2cc(Nc3nc(-c4cccnc4)cs3)ccc21.Cn1c(-c2cccc(OC(F)(F)F)c2)nc2cc(Nc3nc(-c4cccnc4)cs3)ccc21
InChIInChI=1S/C23H16F3N5OS.C23H16F3N5S/c1-31-20-8-7-16(28-22-30-19(13-33-22)15-5-3-9-27-12-15)11-18(20)29-21(31)14-4-2-6-17(10-14)32-23(24,25)26;1-31-20-8-7-17(28-22-30-19(13-32-22)15-5-3-9-27-12-15)11-18(20)29-21(31)14-4-2-6-16(10-14)23(24,25)26/h2-13H,1H3,(H,28,30);2-13H,1H3,(H,28,30)
InChIKeyIRPAHNXSJKJUGB-UHFFFAOYSA-N
XLogP12.92
TPSA120.49 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds9
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500918.95
LogP ≤ 512.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze N-[1-methyl-2-[3-(trifluoromethoxy)phenyl]benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine;N-[1-methyl-2-[3-(trifluoromethyl)phenyl]benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-2-[3-(trifluoromethoxy)phenyl]benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine;N-[1-methyl-2-[3-(trifluoromethyl)phenyl]benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
The IUPAC name of N-[1-methyl-2-[3-(trifluoromethoxy)phenyl]benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine;N-[1-methyl-2-[3-(trifluoromethyl)phenyl]benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine (CID 121363120) is N-[1-methyl-2-[3-(trifluoromethoxy)phenyl]benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine;N-[1-methyl-2-[3-(trifluoromethyl)phenyl]benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[1-methyl-2-[3-(trifluoromethoxy)phenyl]benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine;N-[1-methyl-2-[3-(trifluoromethyl)phenyl]benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-[1-methyl-2-[3-(trifluoromethoxy)phenyl]benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine;N-[1-methyl-2-[3-(trifluoromethyl)phenyl]benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine is Cn1c(-c2cccc(C(F)(F)F)c2)nc2cc(Nc3nc(-c4cccnc4)cs3)ccc21.Cn1c(-c2cccc(OC(F)(F)F)c2)nc2cc(Nc3nc(-c4cccnc4)cs3)ccc21.
What is the InChIKey of N-[1-methyl-2-[3-(trifluoromethoxy)phenyl]benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine;N-[1-methyl-2-[3-(trifluoromethyl)phenyl]benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
The InChIKey is IRPAHNXSJKJUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3N5OS.C23H16F3N5S/c1-31-20-8-7-16(28-22-30-19(13-33-22)15-5-3-9-27-12-15)11-18(20)29-21(31)14-4-2-6-17(10-14)32-23(24,25)26;1-31-20-8-7-17(28-22-30-19(13-32-22)15-5-3-9-27-12-15)11-18(20)29-21(31)14-4-2-6-16(10-14)23(24,25)26/h2-13H,1H3,(H,28,30);2-13H,1H3,(H,28,30).
What are the key properties of N-[1-methyl-2-[3-(trifluoromethoxy)phenyl]benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine;N-[1-methyl-2-[3-(trifluoromethyl)phenyl]benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
N-[1-methyl-2-[3-(trifluoromethoxy)phenyl]benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine;N-[1-methyl-2-[3-(trifluoromethyl)phenyl]benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine has a molecular weight of 918.95 g/mol, XLogP of 12.92, 9 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-2-[3-(trifluoromethoxy)phenyl]benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine;N-[1-methyl-2-[3-(trifluoromethyl)phenyl]benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 121363120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).