7-methyl-6-oxo-2-(1,3-thiazol-2-yl)-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazole-7-carbonitrile

C14H11N5OS — CID 70393900

IUPAC7-methyl-6-oxo-2-(1,3-thiazol-2-yl)-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazole-7-carbonitrile
SMILESCC1(C#N)C(=O)Nc2cc3c(cc21)NC(c1nccs1)N3
InChIInChI=1S/C14H11N5OS/c1-14(6-15)7-4-9-10(5-8(7)19-13(14)20)18-11(17-9)12-16-2-3-21-12/h2-5,11,17-18H,1H3,(H,19,20)
InChIKeyCTIPFXUCGBFFSX-UHFFFAOYSA-N
MW297.34 g/mol
LogP2.41
Rot. Bonds1

About 7-methyl-6-oxo-2-(1,3-thiazol-2-yl)-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazole-7-carbonitrile

7-methyl-6-oxo-2-(1,3-thiazol-2-yl)-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazole-7-carbonitrile (PubChem CID 70393900) has the molecular formula C14H11N5OS and a molecular weight of 297.34 g/mol. Its IUPAC name is 7-methyl-6-oxo-2-(1,3-thiazol-2-yl)-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazole-7-carbonitrile.

Molecular Properties

Compound Name7-methyl-6-oxo-2-(1,3-thiazol-2-yl)-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazole-7-carbonitrile
PubChem CID70393900
Molecular FormulaC14H11N5OS
Molecular Weight297.34 g/mol
Exact Mass297.07
IUPAC Name7-methyl-6-oxo-2-(1,3-thiazol-2-yl)-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazole-7-carbonitrile
SMILESCC1(C#N)C(=O)Nc2cc3c(cc21)NC(c1nccs1)N3
InChIInChI=1S/C14H11N5OS/c1-14(6-15)7-4-9-10(5-8(7)19-13(14)20)18-11(17-9)12-16-2-3-21-12/h2-5,11,17-18H,1H3,(H,19,20)
InChIKeyCTIPFXUCGBFFSX-UHFFFAOYSA-N
XLogP2.41
TPSA89.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-6-oxo-2-(1,3-thiazol-2-yl)-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazole-7-carbonitrile?
The IUPAC name of 7-methyl-6-oxo-2-(1,3-thiazol-2-yl)-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazole-7-carbonitrile (CID 70393900) is 7-methyl-6-oxo-2-(1,3-thiazol-2-yl)-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazole-7-carbonitrile.
What is the SMILES notation for 7-methyl-6-oxo-2-(1,3-thiazol-2-yl)-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazole-7-carbonitrile?
The canonical SMILES for 7-methyl-6-oxo-2-(1,3-thiazol-2-yl)-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazole-7-carbonitrile is CC1(C#N)C(=O)Nc2cc3c(cc21)NC(c1nccs1)N3.
What is the InChIKey of 7-methyl-6-oxo-2-(1,3-thiazol-2-yl)-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazole-7-carbonitrile?
The InChIKey is CTIPFXUCGBFFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5OS/c1-14(6-15)7-4-9-10(5-8(7)19-13(14)20)18-11(17-9)12-16-2-3-21-12/h2-5,11,17-18H,1H3,(H,19,20).
What are the key properties of 7-methyl-6-oxo-2-(1,3-thiazol-2-yl)-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazole-7-carbonitrile?
7-methyl-6-oxo-2-(1,3-thiazol-2-yl)-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazole-7-carbonitrile has a molecular weight of 297.34 g/mol, XLogP of 2.41, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6-oxo-2-(1,3-thiazol-2-yl)-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazole-7-carbonitrile is sourced from PubChem (CID 70393900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).