5-[6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methyl-1H-benzimidazol-4-yl]-2,4-dimethyl-1,3-thiazole

C18H18N4S2 — CID 121434475

IUPAC5-[6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methyl-1H-benzimidazol-4-yl]-2,4-dimethyl-1,3-thiazole
SMILESCc1nc2c(-c3sc(C)nc3C)cc(-c3sc(C)nc3C)cc2[nH]1
InChIInChI=1S/C18H18N4S2/c1-8-17(23-11(4)19-8)13-6-14(18-9(2)20-12(5)24-18)16-15(7-13)21-10(3)22-16/h6-7H,1-5H3,(H,21,22)
InChIKeyKBLHFNBREALCDI-UHFFFAOYSA-N
MW354.50 g/mol
LogP5.35
Rot. Bonds2

About 5-[6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methyl-1H-benzimidazol-4-yl]-2,4-dimethyl-1,3-thiazole

5-[6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methyl-1H-benzimidazol-4-yl]-2,4-dimethyl-1,3-thiazole (PubChem CID 121434475) has the molecular formula C18H18N4S2 and a molecular weight of 354.50 g/mol. Its IUPAC name is 5-[6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methyl-1H-benzimidazol-4-yl]-2,4-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name5-[6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methyl-1H-benzimidazol-4-yl]-2,4-dimethyl-1,3-thiazole
PubChem CID121434475
Molecular FormulaC18H18N4S2
Molecular Weight354.50 g/mol
Exact Mass354.10
IUPAC Name5-[6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methyl-1H-benzimidazol-4-yl]-2,4-dimethyl-1,3-thiazole
SMILESCc1nc2c(-c3sc(C)nc3C)cc(-c3sc(C)nc3C)cc2[nH]1
InChIInChI=1S/C18H18N4S2/c1-8-17(23-11(4)19-8)13-6-14(18-9(2)20-12(5)24-18)16-15(7-13)21-10(3)22-16/h6-7H,1-5H3,(H,21,22)
InChIKeyKBLHFNBREALCDI-UHFFFAOYSA-N
XLogP5.35
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.50
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methyl-1H-benzimidazol-4-yl]-2,4-dimethyl-1,3-thiazole?
The IUPAC name of 5-[6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methyl-1H-benzimidazol-4-yl]-2,4-dimethyl-1,3-thiazole (CID 121434475) is 5-[6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methyl-1H-benzimidazol-4-yl]-2,4-dimethyl-1,3-thiazole.
What is the SMILES notation for 5-[6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methyl-1H-benzimidazol-4-yl]-2,4-dimethyl-1,3-thiazole?
The canonical SMILES for 5-[6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methyl-1H-benzimidazol-4-yl]-2,4-dimethyl-1,3-thiazole is Cc1nc2c(-c3sc(C)nc3C)cc(-c3sc(C)nc3C)cc2[nH]1.
What is the InChIKey of 5-[6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methyl-1H-benzimidazol-4-yl]-2,4-dimethyl-1,3-thiazole?
The InChIKey is KBLHFNBREALCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4S2/c1-8-17(23-11(4)19-8)13-6-14(18-9(2)20-12(5)24-18)16-15(7-13)21-10(3)22-16/h6-7H,1-5H3,(H,21,22).
What are the key properties of 5-[6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methyl-1H-benzimidazol-4-yl]-2,4-dimethyl-1,3-thiazole?
5-[6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methyl-1H-benzimidazol-4-yl]-2,4-dimethyl-1,3-thiazole has a molecular weight of 354.50 g/mol, XLogP of 5.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methyl-1H-benzimidazol-4-yl]-2,4-dimethyl-1,3-thiazole is sourced from PubChem (CID 121434475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).