2-[(1-methylpyrazol-3-yl)methylsulfinyl]-3H-benzimidazol-5-amine

C12H13N5OS — CID 82877295

IUPAC2-[(1-methylpyrazol-3-yl)methylsulfinyl]-3H-benzimidazol-5-amine
SMILESCn1ccc(CS(=O)c2nc3ccc(N)cc3[nH]2)n1
InChIInChI=1S/C12H13N5OS/c1-17-5-4-9(16-17)7-19(18)12-14-10-3-2-8(13)6-11(10)15-12/h2-6H,7,13H2,1H3,(H,14,15)
InChIKeyISXBHGODLYFVGM-UHFFFAOYSA-N
MW275.34 g/mol
LogP1.19
Rot. Bonds3

About 2-[(1-methylpyrazol-3-yl)methylsulfinyl]-3H-benzimidazol-5-amine

2-[(1-methylpyrazol-3-yl)methylsulfinyl]-3H-benzimidazol-5-amine (PubChem CID 82877295) has the molecular formula C12H13N5OS and a molecular weight of 275.34 g/mol. Its IUPAC name is 2-[(1-methylpyrazol-3-yl)methylsulfinyl]-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-[(1-methylpyrazol-3-yl)methylsulfinyl]-3H-benzimidazol-5-amine
PubChem CID82877295
Molecular FormulaC12H13N5OS
Molecular Weight275.34 g/mol
Exact Mass275.08
IUPAC Name2-[(1-methylpyrazol-3-yl)methylsulfinyl]-3H-benzimidazol-5-amine
SMILESCn1ccc(CS(=O)c2nc3ccc(N)cc3[nH]2)n1
InChIInChI=1S/C12H13N5OS/c1-17-5-4-9(16-17)7-19(18)12-14-10-3-2-8(13)6-11(10)15-12/h2-6H,7,13H2,1H3,(H,14,15)
InChIKeyISXBHGODLYFVGM-UHFFFAOYSA-N
XLogP1.19
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(1-methylpyrazol-3-yl)methylsulfinyl]-3H-benzimidazol-5-amine 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-[(2-methyltetrazol-5-yl)methylsulfinyl]-3H-benzimidazol-5-amine
CID 107052253
2-[(6-methyl-2-pyridinyl)methylsulfinyl]-3H-benzimidazol-5-amine
CID 79260541
2-(3,3-dimethylbutylsulfinyl)-3H-benzimidazol-5-amine
CID 54958098
2-[(2-bromophenyl)methylsulfinyl]-3H-benzimidazol-5-amine
CID 61367877
2-[(2-chloro-5-fluorophenyl)methylsulfinyl]-3H-benzimidazol-5-amine
CID 102619650
2-[(6-amino-1H-benzimidazol-2-yl)sulfinyl]-N,N-diethylacetamide
CID 61367686
4-[(6-amino-1H-benzimidazol-2-yl)sulfinylmethyl]pyridine-2-carbonitrile
CID 63880844
3-[(6-amino-1H-benzimidazol-2-yl)sulfinyl]-N-methylpropanamide
CID 62326631
2-(cyclobutylmethylsulfinyl)-3H-benzimidazol-5-amine
CID 65457696
2-fluoro-4-[(1-methylpyrazol-3-yl)methylsulfinyl]aniline
CID 82882069
sodium (1-methylpyrazol-3-yl)methanesulfinate
CID 165454424
6-tert-butyl-2-(pyridin-2-ylmethylsulfinyl)-1H-benzimidazole
CID 20518169

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrazol-3-yl)methylsulfinyl]-3H-benzimidazol-5-amine?
The IUPAC name of 2-[(1-methylpyrazol-3-yl)methylsulfinyl]-3H-benzimidazol-5-amine (CID 82877295) is 2-[(1-methylpyrazol-3-yl)methylsulfinyl]-3H-benzimidazol-5-amine.
What is the SMILES notation for 2-[(1-methylpyrazol-3-yl)methylsulfinyl]-3H-benzimidazol-5-amine?
The canonical SMILES for 2-[(1-methylpyrazol-3-yl)methylsulfinyl]-3H-benzimidazol-5-amine is Cn1ccc(CS(=O)c2nc3ccc(N)cc3[nH]2)n1.
What is the InChIKey of 2-[(1-methylpyrazol-3-yl)methylsulfinyl]-3H-benzimidazol-5-amine?
The InChIKey is ISXBHGODLYFVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5OS/c1-17-5-4-9(16-17)7-19(18)12-14-10-3-2-8(13)6-11(10)15-12/h2-6H,7,13H2,1H3,(H,14,15).
What are the key properties of 2-[(1-methylpyrazol-3-yl)methylsulfinyl]-3H-benzimidazol-5-amine?
2-[(1-methylpyrazol-3-yl)methylsulfinyl]-3H-benzimidazol-5-amine has a molecular weight of 275.34 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrazol-3-yl)methylsulfinyl]-3H-benzimidazol-5-amine is sourced from PubChem (CID 82877295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).