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

C23H19N5OS — CID 90467960

IUPACN-[2-(4-methoxyphenyl)-6-methyl-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2nc3cc(Nc4nc(-c5cccnc5)cs4)c(C)cc3[nH]2)cc1
InChIInChI=1S/C23H19N5OS/c1-14-10-19-20(26-22(25-19)15-5-7-17(29-2)8-6-15)11-18(14)27-23-28-21(13-30-23)16-4-3-9-24-12-16/h3-13H,1-2H3,(H,25,26)(H,27,28)
InChIKeyNPYVKTXGTXEZRF-UHFFFAOYSA-N
MW413.51 g/mol
LogP5.81
Rot. Bonds5

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

N-[2-(4-methoxyphenyl)-6-methyl-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine (PubChem CID 90467960) has the molecular formula C23H19N5OS and a molecular weight of 413.51 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-6-methyl-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-6-methyl-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine
PubChem CID90467960
Molecular FormulaC23H19N5OS
Molecular Weight413.51 g/mol
Exact Mass413.13
IUPAC NameN-[2-(4-methoxyphenyl)-6-methyl-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2nc3cc(Nc4nc(-c5cccnc5)cs4)c(C)cc3[nH]2)cc1
InChIInChI=1S/C23H19N5OS/c1-14-10-19-20(26-22(25-19)15-5-7-17(29-2)8-6-15)11-18(14)27-23-28-21(13-30-23)16-4-3-9-24-12-16/h3-13H,1-2H3,(H,25,26)(H,27,28)
InChIKeyNPYVKTXGTXEZRF-UHFFFAOYSA-N
XLogP5.81
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.51
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-6-methyl-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
The IUPAC name of N-[2-(4-methoxyphenyl)-6-methyl-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine (CID 90467960) is N-[2-(4-methoxyphenyl)-6-methyl-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-6-methyl-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-(4-methoxyphenyl)-6-methyl-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine is COc1ccc(-c2nc3cc(Nc4nc(-c5cccnc5)cs4)c(C)cc3[nH]2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-6-methyl-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
The InChIKey is NPYVKTXGTXEZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5OS/c1-14-10-19-20(26-22(25-19)15-5-7-17(29-2)8-6-15)11-18(14)27-23-28-21(13-30-23)16-4-3-9-24-12-16/h3-13H,1-2H3,(H,25,26)(H,27,28).
What are the key properties of N-[2-(4-methoxyphenyl)-6-methyl-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
N-[2-(4-methoxyphenyl)-6-methyl-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine has a molecular weight of 413.51 g/mol, XLogP of 5.81, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-6-methyl-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 90467960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).