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

C25H23N5S — CID 121363111

IUPACN-[6-methyl-2-(3-propan-2-ylphenyl)-1H-benzimidazol-5-yl]-4-pyridin-4-yl-1,3-thiazol-2-amine
SMILESCc1cc2[nH]c(-c3cccc(C(C)C)c3)nc2cc1Nc1nc(-c2ccncc2)cs1
InChIInChI=1S/C25H23N5S/c1-15(2)18-5-4-6-19(12-18)24-27-21-11-16(3)20(13-22(21)28-24)29-25-30-23(14-31-25)17-7-9-26-10-8-17/h4-15H,1-3H3,(H,27,28)(H,29,30)
InChIKeyUMDSKRLTGOKFSR-UHFFFAOYSA-N
MW425.56 g/mol
LogP6.92
Rot. Bonds5

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

N-[6-methyl-2-(3-propan-2-ylphenyl)-1H-benzimidazol-5-yl]-4-pyridin-4-yl-1,3-thiazol-2-amine (PubChem CID 121363111) has the molecular formula C25H23N5S and a molecular weight of 425.56 g/mol. Its IUPAC name is N-[6-methyl-2-(3-propan-2-ylphenyl)-1H-benzimidazol-5-yl]-4-pyridin-4-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[6-methyl-2-(3-propan-2-ylphenyl)-1H-benzimidazol-5-yl]-4-pyridin-4-yl-1,3-thiazol-2-amine
PubChem CID121363111
Molecular FormulaC25H23N5S
Molecular Weight425.56 g/mol
Exact Mass425.17
IUPAC NameN-[6-methyl-2-(3-propan-2-ylphenyl)-1H-benzimidazol-5-yl]-4-pyridin-4-yl-1,3-thiazol-2-amine
SMILESCc1cc2[nH]c(-c3cccc(C(C)C)c3)nc2cc1Nc1nc(-c2ccncc2)cs1
InChIInChI=1S/C25H23N5S/c1-15(2)18-5-4-6-19(12-18)24-27-21-11-16(3)20(13-22(21)28-24)29-25-30-23(14-31-25)17-7-9-26-10-8-17/h4-15H,1-3H3,(H,27,28)(H,29,30)
InChIKeyUMDSKRLTGOKFSR-UHFFFAOYSA-N
XLogP6.92
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.56
LogP ≤ 56.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazole_amine_M(1)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[6-methyl-2-(3-propan-2-ylphenyl)-1H-benzimidazol-5-yl]-4-pyridin-4-yl-1,3-thiazol-2-amine?
The IUPAC name of N-[6-methyl-2-(3-propan-2-ylphenyl)-1H-benzimidazol-5-yl]-4-pyridin-4-yl-1,3-thiazol-2-amine (CID 121363111) is N-[6-methyl-2-(3-propan-2-ylphenyl)-1H-benzimidazol-5-yl]-4-pyridin-4-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[6-methyl-2-(3-propan-2-ylphenyl)-1H-benzimidazol-5-yl]-4-pyridin-4-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-[6-methyl-2-(3-propan-2-ylphenyl)-1H-benzimidazol-5-yl]-4-pyridin-4-yl-1,3-thiazol-2-amine is Cc1cc2[nH]c(-c3cccc(C(C)C)c3)nc2cc1Nc1nc(-c2ccncc2)cs1.
What is the InChIKey of N-[6-methyl-2-(3-propan-2-ylphenyl)-1H-benzimidazol-5-yl]-4-pyridin-4-yl-1,3-thiazol-2-amine?
The InChIKey is UMDSKRLTGOKFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5S/c1-15(2)18-5-4-6-19(12-18)24-27-21-11-16(3)20(13-22(21)28-24)29-25-30-23(14-31-25)17-7-9-26-10-8-17/h4-15H,1-3H3,(H,27,28)(H,29,30).
What are the key properties of N-[6-methyl-2-(3-propan-2-ylphenyl)-1H-benzimidazol-5-yl]-4-pyridin-4-yl-1,3-thiazol-2-amine?
N-[6-methyl-2-(3-propan-2-ylphenyl)-1H-benzimidazol-5-yl]-4-pyridin-4-yl-1,3-thiazol-2-amine has a molecular weight of 425.56 g/mol, XLogP of 6.92, 5 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-propan-2-ylphenyl)-1H-benzimidazol-5-yl]-4-pyridin-4-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 121363111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).