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

C25H19N7S — CID 90466965

IUPACN-[6-methyl-2-(4-pyrazol-1-ylphenyl)-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine
SMILESCc1cc2[nH]c(-c3ccc(-n4cccn4)cc3)nc2cc1Nc1nc(-c2cccnc2)cs1
InChIInChI=1S/C25H19N7S/c1-16-12-21-22(13-20(16)30-25-31-23(15-33-25)18-4-2-9-26-14-18)29-24(28-21)17-5-7-19(8-6-17)32-11-3-10-27-32/h2-15H,1H3,(H,28,29)(H,30,31)
InChIKeyRXZXBZVZZIQHAN-UHFFFAOYSA-N
MW449.54 g/mol
LogP5.99
Rot. Bonds5

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

N-[6-methyl-2-(4-pyrazol-1-ylphenyl)-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine (PubChem CID 90466965) has the molecular formula C25H19N7S and a molecular weight of 449.54 g/mol. Its IUPAC name is N-[6-methyl-2-(4-pyrazol-1-ylphenyl)-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[6-methyl-2-(4-pyrazol-1-ylphenyl)-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine
PubChem CID90466965
Molecular FormulaC25H19N7S
Molecular Weight449.54 g/mol
Exact Mass449.14
IUPAC NameN-[6-methyl-2-(4-pyrazol-1-ylphenyl)-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine
SMILESCc1cc2[nH]c(-c3ccc(-n4cccn4)cc3)nc2cc1Nc1nc(-c2cccnc2)cs1
InChIInChI=1S/C25H19N7S/c1-16-12-21-22(13-20(16)30-25-31-23(15-33-25)18-4-2-9-26-14-18)29-24(28-21)17-5-7-19(8-6-17)32-11-3-10-27-32/h2-15H,1H3,(H,28,29)(H,30,31)
InChIKeyRXZXBZVZZIQHAN-UHFFFAOYSA-N
XLogP5.99
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.54
LogP ≤ 55.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-methyl-2-(4-pyrazol-1-ylphenyl)-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
The IUPAC name of N-[6-methyl-2-(4-pyrazol-1-ylphenyl)-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine (CID 90466965) is N-[6-methyl-2-(4-pyrazol-1-ylphenyl)-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[6-methyl-2-(4-pyrazol-1-ylphenyl)-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-[6-methyl-2-(4-pyrazol-1-ylphenyl)-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine is Cc1cc2[nH]c(-c3ccc(-n4cccn4)cc3)nc2cc1Nc1nc(-c2cccnc2)cs1.
What is the InChIKey of N-[6-methyl-2-(4-pyrazol-1-ylphenyl)-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
The InChIKey is RXZXBZVZZIQHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N7S/c1-16-12-21-22(13-20(16)30-25-31-23(15-33-25)18-4-2-9-26-14-18)29-24(28-21)17-5-7-19(8-6-17)32-11-3-10-27-32/h2-15H,1H3,(H,28,29)(H,30,31).
What are the key properties of N-[6-methyl-2-(4-pyrazol-1-ylphenyl)-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
N-[6-methyl-2-(4-pyrazol-1-ylphenyl)-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine has a molecular weight of 449.54 g/mol, XLogP of 5.99, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methyl-2-(4-pyrazol-1-ylphenyl)-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 90466965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).