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

C44H29F5N10S2 — CID 162183533

IUPACN-[2-[3-(difluoromethyl)phenyl]-3H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine;4-pyridin-3-yl-N-[2-[3-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]-1,3-thiazol-2-amine
SMILESFC(F)(F)c1cccc(-c2nc3ccc(Nc4nc(-c5cccnc5)cs4)cc3[nH]2)c1.FC(F)c1cccc(-c2nc3ccc(Nc4nc(-c5cccnc5)cs4)cc3[nH]2)c1
InChIInChI=1S/C22H14F3N5S.C22H15F2N5S/c23-22(24,25)15-5-1-3-13(9-15)20-28-17-7-6-16(10-18(17)29-20)27-21-30-19(12-31-21)14-4-2-8-26-11-14;23-20(24)13-3-1-4-14(9-13)21-27-17-7-6-16(10-18(17)28-21)26-22-29-19(12-30-22)15-5-2-8-25-11-15/h1-12H,(H,27,30)(H,28,29);1-12,20H,(H,26,29)(H,27,28)
InChIKeyZPIZGNBSRAGLKA-UHFFFAOYSA-N
MW856.91 g/mol
LogP12.94
Rot. Bonds9

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

N-[2-[3-(difluoromethyl)phenyl]-3H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine;4-pyridin-3-yl-N-[2-[3-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]-1,3-thiazol-2-amine (PubChem CID 162183533) has the molecular formula C44H29F5N10S2 and a molecular weight of 856.91 g/mol. Its IUPAC name is N-[2-[3-(difluoromethyl)phenyl]-3H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine;4-pyridin-3-yl-N-[2-[3-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-[3-(difluoromethyl)phenyl]-3H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine;4-pyridin-3-yl-N-[2-[3-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]-1,3-thiazol-2-amine
PubChem CID162183533
Molecular FormulaC44H29F5N10S2
Molecular Weight856.91 g/mol
Exact Mass856.19
IUPAC NameN-[2-[3-(difluoromethyl)phenyl]-3H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine;4-pyridin-3-yl-N-[2-[3-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]-1,3-thiazol-2-amine
SMILESFC(F)(F)c1cccc(-c2nc3ccc(Nc4nc(-c5cccnc5)cs4)cc3[nH]2)c1.FC(F)c1cccc(-c2nc3ccc(Nc4nc(-c5cccnc5)cs4)cc3[nH]2)c1
InChIInChI=1S/C22H14F3N5S.C22H15F2N5S/c23-22(24,25)15-5-1-3-13(9-15)20-28-17-7-6-16(10-18(17)29-20)27-21-30-19(12-31-21)14-4-2-8-26-11-14;23-20(24)13-3-1-4-14(9-13)21-27-17-7-6-16(10-18(17)28-21)26-22-29-19(12-30-22)15-5-2-8-25-11-15/h1-12H,(H,27,30)(H,28,29);1-12,20H,(H,26,29)(H,27,28)
InChIKeyZPIZGNBSRAGLKA-UHFFFAOYSA-N
XLogP12.94
TPSA132.98 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500856.91
LogP ≤ 512.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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

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Related Compounds

US10202370, Example 020
CID 90466086
US10202370, Example 024
CID 90466088
US10202370, Example 033
CID 90466379
US10202370, Example 045
CID 90466662
US10202370, Example 049
CID 90466814
US10202370, Example 050
CID 90466815
US10202370, Example 056
CID 90466964
US10202370, Example 058
CID 90467112
US10202370, Example 061
CID 90467115
US10202370, Example 062
CID 90467116
US10202370, Example 081
CID 90467541
US10202370, Example 082
CID 90467684

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(difluoromethyl)phenyl]-3H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine;4-pyridin-3-yl-N-[2-[3-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-[2-[3-(difluoromethyl)phenyl]-3H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine;4-pyridin-3-yl-N-[2-[3-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]-1,3-thiazol-2-amine (CID 162183533) is N-[2-[3-(difluoromethyl)phenyl]-3H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine;4-pyridin-3-yl-N-[2-[3-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-[3-(difluoromethyl)phenyl]-3H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine;4-pyridin-3-yl-N-[2-[3-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-[3-(difluoromethyl)phenyl]-3H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine;4-pyridin-3-yl-N-[2-[3-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]-1,3-thiazol-2-amine is FC(F)(F)c1cccc(-c2nc3ccc(Nc4nc(-c5cccnc5)cs4)cc3[nH]2)c1.FC(F)c1cccc(-c2nc3ccc(Nc4nc(-c5cccnc5)cs4)cc3[nH]2)c1.
What is the InChIKey of N-[2-[3-(difluoromethyl)phenyl]-3H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine;4-pyridin-3-yl-N-[2-[3-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]-1,3-thiazol-2-amine?
The InChIKey is ZPIZGNBSRAGLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F3N5S.C22H15F2N5S/c23-22(24,25)15-5-1-3-13(9-15)20-28-17-7-6-16(10-18(17)29-20)27-21-30-19(12-31-21)14-4-2-8-26-11-14;23-20(24)13-3-1-4-14(9-13)21-27-17-7-6-16(10-18(17)28-21)26-22-29-19(12-30-22)15-5-2-8-25-11-15/h1-12H,(H,27,30)(H,28,29);1-12,20H,(H,26,29)(H,27,28).
What are the key properties of N-[2-[3-(difluoromethyl)phenyl]-3H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine;4-pyridin-3-yl-N-[2-[3-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]-1,3-thiazol-2-amine?
N-[2-[3-(difluoromethyl)phenyl]-3H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine;4-pyridin-3-yl-N-[2-[3-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]-1,3-thiazol-2-amine has a molecular weight of 856.91 g/mol, XLogP of 12.94, 9 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(difluoromethyl)phenyl]-3H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine;4-pyridin-3-yl-N-[2-[3-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 162183533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).