2-(1H-benzimidazol-2-yl)-5-(1,3-thiazol-2-yl)aniline

C16H12N4S — CID 16731587

IUPAC2-(1H-benzimidazol-2-yl)-5-(1,3-thiazol-2-yl)aniline
SMILESNc1cc(-c2nccs2)ccc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C16H12N4S/c17-12-9-10(16-18-7-8-21-16)5-6-11(12)15-19-13-3-1-2-4-14(13)20-15/h1-9H,17H2,(H,19,20)
InChIKeyIWYBDRYLKQCQBF-UHFFFAOYSA-N
MW292.37 g/mol
LogP3.94
Rot. Bonds2

About 2-(1H-benzimidazol-2-yl)-5-(1,3-thiazol-2-yl)aniline

2-(1H-benzimidazol-2-yl)-5-(1,3-thiazol-2-yl)aniline (PubChem CID 16731587) has the molecular formula C16H12N4S and a molecular weight of 292.37 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-5-(1,3-thiazol-2-yl)aniline.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-5-(1,3-thiazol-2-yl)aniline
PubChem CID16731587
Molecular FormulaC16H12N4S
Molecular Weight292.37 g/mol
Exact Mass292.08
IUPAC Name2-(1H-benzimidazol-2-yl)-5-(1,3-thiazol-2-yl)aniline
SMILESNc1cc(-c2nccs2)ccc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C16H12N4S/c17-12-9-10(16-18-7-8-21-16)5-6-11(12)15-19-13-3-1-2-4-14(13)20-15/h1-9H,17H2,(H,19,20)
InChIKeyIWYBDRYLKQCQBF-UHFFFAOYSA-N
XLogP3.94
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-5-(1,3-thiazol-2-yl)aniline?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-5-(1,3-thiazol-2-yl)aniline (CID 16731587) is 2-(1H-benzimidazol-2-yl)-5-(1,3-thiazol-2-yl)aniline.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-5-(1,3-thiazol-2-yl)aniline?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-5-(1,3-thiazol-2-yl)aniline is Nc1cc(-c2nccs2)ccc1-c1nc2ccccc2[nH]1.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-5-(1,3-thiazol-2-yl)aniline?
The InChIKey is IWYBDRYLKQCQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4S/c17-12-9-10(16-18-7-8-21-16)5-6-11(12)15-19-13-3-1-2-4-14(13)20-15/h1-9H,17H2,(H,19,20).
What are the key properties of 2-(1H-benzimidazol-2-yl)-5-(1,3-thiazol-2-yl)aniline?
2-(1H-benzimidazol-2-yl)-5-(1,3-thiazol-2-yl)aniline has a molecular weight of 292.37 g/mol, XLogP of 3.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)-5-(1,3-thiazol-2-yl)aniline is sourced from PubChem (CID 16731587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).