2-[4-(4-methyl-3-pyridinyl)benzimidazol-1-yl]-1,3-thiazole

C16H12N4S — CID 56953325

IUPAC2-[4-(4-methyl-3-pyridinyl)benzimidazol-1-yl]-1,3-thiazole
SMILESCc1ccncc1-c1cccc2c1ncn2-c1nccs1
InChIInChI=1S/C16H12N4S/c1-11-5-6-17-9-13(11)12-3-2-4-14-15(12)19-10-20(14)16-18-7-8-21-16/h2-10H,1H3
InChIKeySEIPEHNSZOQMSZ-UHFFFAOYSA-N
MW292.37 g/mol
LogP3.85
Rot. Bonds2

About 2-[4-(4-methyl-3-pyridinyl)benzimidazol-1-yl]-1,3-thiazole

2-[4-(4-methyl-3-pyridinyl)benzimidazol-1-yl]-1,3-thiazole (PubChem CID 56953325) has the molecular formula C16H12N4S and a molecular weight of 292.37 g/mol. Its IUPAC name is 2-[4-(4-methyl-3-pyridinyl)benzimidazol-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(4-methyl-3-pyridinyl)benzimidazol-1-yl]-1,3-thiazole
PubChem CID56953325
Molecular FormulaC16H12N4S
Molecular Weight292.37 g/mol
Exact Mass292.08
IUPAC Name2-[4-(4-methyl-3-pyridinyl)benzimidazol-1-yl]-1,3-thiazole
SMILESCc1ccncc1-c1cccc2c1ncn2-c1nccs1
InChIInChI=1S/C16H12N4S/c1-11-5-6-17-9-13(11)12-3-2-4-14-15(12)19-10-20(14)16-18-7-8-21-16/h2-10H,1H3
InChIKeySEIPEHNSZOQMSZ-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 2-[4-(4-methyl-3-pyridinyl)benzimidazol-1-yl]-1,3-thiazole?
The IUPAC name of 2-[4-(4-methyl-3-pyridinyl)benzimidazol-1-yl]-1,3-thiazole (CID 56953325) is 2-[4-(4-methyl-3-pyridinyl)benzimidazol-1-yl]-1,3-thiazole.
What is the SMILES notation for 2-[4-(4-methyl-3-pyridinyl)benzimidazol-1-yl]-1,3-thiazole?
The canonical SMILES for 2-[4-(4-methyl-3-pyridinyl)benzimidazol-1-yl]-1,3-thiazole is Cc1ccncc1-c1cccc2c1ncn2-c1nccs1.
What is the InChIKey of 2-[4-(4-methyl-3-pyridinyl)benzimidazol-1-yl]-1,3-thiazole?
The InChIKey is SEIPEHNSZOQMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4S/c1-11-5-6-17-9-13(11)12-3-2-4-14-15(12)19-10-20(14)16-18-7-8-21-16/h2-10H,1H3.
What are the key properties of 2-[4-(4-methyl-3-pyridinyl)benzimidazol-1-yl]-1,3-thiazole?
2-[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 2-[4-(4-methyl-3-pyridinyl)benzimidazol-1-yl]-1,3-thiazole is sourced from PubChem (CID 56953325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).