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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1H-benzimidazol-2-yl)aniline;dihydrochloride
CID 133057606
2-(1,3-thiazol-2-yl)-3H-benzimidazol-5-amine
CID 69018382
5-(1H-benzimidazol-2-yl)pyrimidine-2,4-diamine
CID 102284104
4-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]benzene-1,2-diamine
CID 59071986
5-amino-2-(1H-benzimidazol-2-yl)phenol
CID 135578129
2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
4-(3-aminophenyl)-3-(1H-benzimidazol-2-yl)aniline
CID 141467779
3-(1H-benzimidazol-2-yl)-1,8-naphthyridin-2-amine
CID 13479171
3-(1H-benzimidazol-2-yl)-5-pyridin-4-ylpyridin-2-amine
CID 50923466
2-[4-[3,5-bis[4-(1H-benzimidazol-2-yl)phenyl]phenyl]phenyl]-1H-benzimidazole
CID 102200427
2-(2-chloro-4-phenylphenyl)-1H-benzimidazole
CID 168554361
5-(1H-benzimidazol-2-yl)-7H-thieno[2,3-b]pyridin-6-one
CID 135834134

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).