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

C23H19N5S — CID 90468104

IUPACN-[6-methyl-2-(3-methylphenyl)-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine
SMILESCc1cccc(-c2nc3cc(Nc4nc(-c5cccnc5)cs4)c(C)cc3[nH]2)c1
InChIInChI=1S/C23H19N5S/c1-14-5-3-6-16(9-14)22-25-19-10-15(2)18(11-20(19)26-22)27-23-28-21(13-29-23)17-7-4-8-24-12-17/h3-13H,1-2H3,(H,25,26)(H,27,28)
InChIKeyDJSSFMOKPBTSAD-UHFFFAOYSA-N
MW397.51 g/mol
LogP6.11
Rot. Bonds4

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

N-[6-methyl-2-(3-methylphenyl)-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine (PubChem CID 90468104) has the molecular formula C23H19N5S and a molecular weight of 397.51 g/mol. Its IUPAC name is N-[6-methyl-2-(3-methylphenyl)-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[6-methyl-2-(3-methylphenyl)-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine
PubChem CID90468104
Molecular FormulaC23H19N5S
Molecular Weight397.51 g/mol
Exact Mass397.14
IUPAC NameN-[6-methyl-2-(3-methylphenyl)-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine
SMILESCc1cccc(-c2nc3cc(Nc4nc(-c5cccnc5)cs4)c(C)cc3[nH]2)c1
InChIInChI=1S/C23H19N5S/c1-14-5-3-6-16(9-14)22-25-19-10-15(2)18(11-20(19)26-22)27-23-28-21(13-29-23)17-7-4-8-24-12-17/h3-13H,1-2H3,(H,25,26)(H,27,28)
InChIKeyDJSSFMOKPBTSAD-UHFFFAOYSA-N
XLogP6.11
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.51
LogP ≤ 56.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-methyl-2-(3-methylphenyl)-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
The IUPAC name of N-[6-methyl-2-(3-methylphenyl)-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine (CID 90468104) is N-[6-methyl-2-(3-methylphenyl)-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[6-methyl-2-(3-methylphenyl)-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-[6-methyl-2-(3-methylphenyl)-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine is Cc1cccc(-c2nc3cc(Nc4nc(-c5cccnc5)cs4)c(C)cc3[nH]2)c1.
What is the InChIKey of N-[6-methyl-2-(3-methylphenyl)-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
The InChIKey is DJSSFMOKPBTSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5S/c1-14-5-3-6-16(9-14)22-25-19-10-15(2)18(11-20(19)26-22)27-23-28-21(13-29-23)17-7-4-8-24-12-17/h3-13H,1-2H3,(H,25,26)(H,27,28).
What are the key properties of N-[6-methyl-2-(3-methylphenyl)-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
N-[6-methyl-2-(3-methylphenyl)-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine has a molecular weight of 397.51 g/mol, XLogP of 6.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methyl-2-(3-methylphenyl)-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 90468104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).