4-[4-(4-methyl-3-pyridinyl)benzimidazol-1-yl]-1,3-thiazole

C16H12N4S — CID 56952125

IUPAC4-[4-(4-methyl-3-pyridinyl)benzimidazol-1-yl]-1,3-thiazole
SMILESCc1ccncc1-c1cccc2c1ncn2-c1cscn1
InChIInChI=1S/C16H12N4S/c1-11-5-6-17-7-13(11)12-3-2-4-14-16(12)18-9-20(14)15-8-21-10-19-15/h2-10H,1H3
InChIKeyWPGKCYCVJIWPLF-UHFFFAOYSA-N
MW292.37 g/mol
LogP3.85
Rot. Bonds2

About 4-[4-(4-methyl-3-pyridinyl)benzimidazol-1-yl]-1,3-thiazole

4-[4-(4-methyl-3-pyridinyl)benzimidazol-1-yl]-1,3-thiazole (PubChem CID 56952125) has the molecular formula C16H12N4S and a molecular weight of 292.37 g/mol. Its IUPAC name is 4-[4-(4-methyl-3-pyridinyl)benzimidazol-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-[4-(4-methyl-3-pyridinyl)benzimidazol-1-yl]-1,3-thiazole
PubChem CID56952125
Molecular FormulaC16H12N4S
Molecular Weight292.37 g/mol
Exact Mass292.08
IUPAC Name4-[4-(4-methyl-3-pyridinyl)benzimidazol-1-yl]-1,3-thiazole
SMILESCc1ccncc1-c1cccc2c1ncn2-c1cscn1
InChIInChI=1S/C16H12N4S/c1-11-5-6-17-7-13(11)12-3-2-4-14-16(12)18-9-20(14)15-8-21-10-19-15/h2-10H,1H3
InChIKeyWPGKCYCVJIWPLF-UHFFFAOYSA-N
XLogP3.85
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methyl-3-pyridinyl)benzimidazol-1-yl]-1,3-thiazole?
The IUPAC name of 4-[4-(4-methyl-3-pyridinyl)benzimidazol-1-yl]-1,3-thiazole (CID 56952125) is 4-[4-(4-methyl-3-pyridinyl)benzimidazol-1-yl]-1,3-thiazole.
What is the SMILES notation for 4-[4-(4-methyl-3-pyridinyl)benzimidazol-1-yl]-1,3-thiazole?
The canonical SMILES for 4-[4-(4-methyl-3-pyridinyl)benzimidazol-1-yl]-1,3-thiazole is Cc1ccncc1-c1cccc2c1ncn2-c1cscn1.
What is the InChIKey of 4-[4-(4-methyl-3-pyridinyl)benzimidazol-1-yl]-1,3-thiazole?
The InChIKey is WPGKCYCVJIWPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4S/c1-11-5-6-17-7-13(11)12-3-2-4-14-16(12)18-9-20(14)15-8-21-10-19-15/h2-10H,1H3.
What are the key properties of 4-[4-(4-methyl-3-pyridinyl)benzimidazol-1-yl]-1,3-thiazole?
4-[4-(4-methyl-3-pyridinyl)benzimidazol-1-yl]-1,3-thiazole has a molecular weight of 292.37 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methyl-3-pyridinyl)benzimidazol-1-yl]-1,3-thiazole is sourced from PubChem (CID 56952125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).