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

C23H19N5OS — CID 121363132

IUPACN-[2-(3-methoxyphenyl)-6-methyl-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine
SMILESCOc1cccc(-c2nc3cc(Nc4nc(-c5cccnc5)cs4)c(C)cc3[nH]2)c1
InChIInChI=1S/C23H19N5OS/c1-14-9-19-20(26-22(25-19)15-5-3-7-17(10-15)29-2)11-18(14)27-23-28-21(13-30-23)16-6-4-8-24-12-16/h3-13H,1-2H3,(H,25,26)(H,27,28)
InChIKeyMFSOFZXVEKLGTK-UHFFFAOYSA-N
MW413.51 g/mol
LogP5.81
Rot. Bonds5

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

N-[2-(3-methoxyphenyl)-6-methyl-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine (PubChem CID 121363132) has the molecular formula C23H19N5OS and a molecular weight of 413.51 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)-6-methyl-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)-6-methyl-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine
PubChem CID121363132
Molecular FormulaC23H19N5OS
Molecular Weight413.51 g/mol
Exact Mass413.13
IUPAC NameN-[2-(3-methoxyphenyl)-6-methyl-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine
SMILESCOc1cccc(-c2nc3cc(Nc4nc(-c5cccnc5)cs4)c(C)cc3[nH]2)c1
InChIInChI=1S/C23H19N5OS/c1-14-9-19-20(26-22(25-19)15-5-3-7-17(10-15)29-2)11-18(14)27-23-28-21(13-30-23)16-6-4-8-24-12-16/h3-13H,1-2H3,(H,25,26)(H,27,28)
InChIKeyMFSOFZXVEKLGTK-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

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

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Related Compounds

4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 2877432
4-((4-(6-Bromo-2-(4-methoxyphenyl)-3H-imidazo[4,5-b]pyridin-7-yl)piperazin-1-yl)methyl)thiazole
CID 46866896
2-[(3-methoxybenzyl)thio]-3H-imidazo[4,5-c]pyridine
CID 6620333
5-N-[(3-methoxyphenyl)methyl]-2-pyrazin-2-yl-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine
CID 145960746
US10202370, Example 026
CID 90466229
US10202370, Example 047
CID 90466812
US10202370, Example 073
CID 90467414
US10202370, Example 083
CID 90467685
US10202370, Example 086
CID 90467686
US10202370, Example 089
CID 117761500
US10202370, Example 115
CID 121363102
6-imidazol-1-yl-2-(2-methoxy-4-methylsulfanylphenyl)-1H-benzimidazole
CID 10449675

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)-6-methyl-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
The IUPAC name of N-[2-(3-methoxyphenyl)-6-methyl-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine (CID 121363132) is N-[2-(3-methoxyphenyl)-6-methyl-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-(3-methoxyphenyl)-6-methyl-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-(3-methoxyphenyl)-6-methyl-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine is COc1cccc(-c2nc3cc(Nc4nc(-c5cccnc5)cs4)c(C)cc3[nH]2)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)-6-methyl-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
The InChIKey is MFSOFZXVEKLGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5OS/c1-14-9-19-20(26-22(25-19)15-5-3-7-17(10-15)29-2)11-18(14)27-23-28-21(13-30-23)16-6-4-8-24-12-16/h3-13H,1-2H3,(H,25,26)(H,27,28).
What are the key properties of N-[2-(3-methoxyphenyl)-6-methyl-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
N-[2-(3-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-(3-methoxyphenyl)-6-methyl-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 121363132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).