2-(2-ethyl-1,3-thiazol-4-yl)-3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile

C18H14N4OS — CID 23033628

IUPAC2-(2-ethyl-1,3-thiazol-4-yl)-3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESCCc1nc(-c2c(C)c(C#N)c3[nH]c4ccccc4n3c2=O)cs1
InChIInChI=1S/C18H14N4OS/c1-3-15-20-13(9-24-15)16-10(2)11(8-19)17-21-12-6-4-5-7-14(12)22(17)18(16)23/h4-7,9,21H,3H2,1-2H3
InChIKeyUQEWJLNAFBFWKA-UHFFFAOYSA-N
MW334.40 g/mol
LogP3.65
Rot. Bonds2

About 2-(2-ethyl-1,3-thiazol-4-yl)-3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile

2-(2-ethyl-1,3-thiazol-4-yl)-3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile (PubChem CID 23033628) has the molecular formula C18H14N4OS and a molecular weight of 334.40 g/mol. Its IUPAC name is 2-(2-ethyl-1,3-thiazol-4-yl)-3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name2-(2-ethyl-1,3-thiazol-4-yl)-3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile
PubChem CID23033628
Molecular FormulaC18H14N4OS
Molecular Weight334.40 g/mol
Exact Mass334.09
IUPAC Name2-(2-ethyl-1,3-thiazol-4-yl)-3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESCCc1nc(-c2c(C)c(C#N)c3[nH]c4ccccc4n3c2=O)cs1
InChIInChI=1S/C18H14N4OS/c1-3-15-20-13(9-24-15)16-10(2)11(8-19)17-21-12-6-4-5-7-14(12)22(17)18(16)23/h4-7,9,21H,3H2,1-2H3
InChIKeyUQEWJLNAFBFWKA-UHFFFAOYSA-N
XLogP3.65
TPSA73.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-1,3-thiazol-4-yl)-3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile?
The IUPAC name of 2-(2-ethyl-1,3-thiazol-4-yl)-3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile (CID 23033628) is 2-(2-ethyl-1,3-thiazol-4-yl)-3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile.
What is the SMILES notation for 2-(2-ethyl-1,3-thiazol-4-yl)-3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile?
The canonical SMILES for 2-(2-ethyl-1,3-thiazol-4-yl)-3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile is CCc1nc(-c2c(C)c(C#N)c3[nH]c4ccccc4n3c2=O)cs1.
What is the InChIKey of 2-(2-ethyl-1,3-thiazol-4-yl)-3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile?
The InChIKey is UQEWJLNAFBFWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4OS/c1-3-15-20-13(9-24-15)16-10(2)11(8-19)17-21-12-6-4-5-7-14(12)22(17)18(16)23/h4-7,9,21H,3H2,1-2H3.
What are the key properties of 2-(2-ethyl-1,3-thiazol-4-yl)-3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile?
2-(2-ethyl-1,3-thiazol-4-yl)-3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile has a molecular weight of 334.40 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-1,3-thiazol-4-yl)-3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile is sourced from PubChem (CID 23033628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).