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

C10H11N7OS — CID 107052253

IUPAC2-[(2-methyltetrazol-5-yl)methylsulfinyl]-3H-benzimidazol-5-amine
SMILESCn1nnc(CS(=O)c2nc3ccc(N)cc3[nH]2)n1
InChIInChI=1S/C10H11N7OS/c1-17-15-9(14-16-17)5-19(18)10-12-7-3-2-6(11)4-8(7)13-10/h2-4H,5,11H2,1H3,(H,12,13)
InChIKeyUYCPJFPVIISHLI-UHFFFAOYSA-N
MW277.31 g/mol
LogP-0.02
Rot. Bonds3

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

2-[(2-methyltetrazol-5-yl)methylsulfinyl]-3H-benzimidazol-5-amine (PubChem CID 107052253) has the molecular formula C10H11N7OS and a molecular weight of 277.31 g/mol. Its IUPAC name is 2-[(2-methyltetrazol-5-yl)methylsulfinyl]-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-[(2-methyltetrazol-5-yl)methylsulfinyl]-3H-benzimidazol-5-amine
PubChem CID107052253
Molecular FormulaC10H11N7OS
Molecular Weight277.31 g/mol
Exact Mass277.07
IUPAC Name2-[(2-methyltetrazol-5-yl)methylsulfinyl]-3H-benzimidazol-5-amine
SMILESCn1nnc(CS(=O)c2nc3ccc(N)cc3[nH]2)n1
InChIInChI=1S/C10H11N7OS/c1-17-15-9(14-16-17)5-19(18)10-12-7-3-2-6(11)4-8(7)13-10/h2-4H,5,11H2,1H3,(H,12,13)
InChIKeyUYCPJFPVIISHLI-UHFFFAOYSA-N
XLogP-0.02
TPSA115.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[(1-methylpyrazol-3-yl)methylsulfinyl]-3H-benzimidazol-5-amine
CID 82877295
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-[(6-amino-1H-benzimidazol-2-yl)sulfinyl]-N,N-diethylacetamide
CID 61367686
3-[(6-amino-1H-benzimidazol-2-yl)sulfinyl]-N-methylpropanamide
CID 62326631
2-[(2-chloro-5-fluorophenyl)methylsulfinyl]-3H-benzimidazol-5-amine
CID 102619650
2-(cyclobutylmethylsulfinyl)-3H-benzimidazol-5-amine
CID 65457696
4-[(6-amino-1H-benzimidazol-2-yl)sulfinylmethyl]pyridine-2-carbonitrile
CID 63880844
4-[(2-methyltetrazol-5-yl)methylsulfinyl]pyridin-3-amine
CID 107052262
2-[2-(6-amino-1H-benzimidazol-2-yl)ethylsulfinyl]acetamide
CID 114231833
6-amino-3-[(2-methyltetrazol-5-yl)methyl]quinazolin-4-one
CID 107042807

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyltetrazol-5-yl)methylsulfinyl]-3H-benzimidazol-5-amine?
The IUPAC name of 2-[(2-methyltetrazol-5-yl)methylsulfinyl]-3H-benzimidazol-5-amine (CID 107052253) is 2-[(2-methyltetrazol-5-yl)methylsulfinyl]-3H-benzimidazol-5-amine.
What is the SMILES notation for 2-[(2-methyltetrazol-5-yl)methylsulfinyl]-3H-benzimidazol-5-amine?
The canonical SMILES for 2-[(2-methyltetrazol-5-yl)methylsulfinyl]-3H-benzimidazol-5-amine is Cn1nnc(CS(=O)c2nc3ccc(N)cc3[nH]2)n1.
What is the InChIKey of 2-[(2-methyltetrazol-5-yl)methylsulfinyl]-3H-benzimidazol-5-amine?
The InChIKey is UYCPJFPVIISHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N7OS/c1-17-15-9(14-16-17)5-19(18)10-12-7-3-2-6(11)4-8(7)13-10/h2-4H,5,11H2,1H3,(H,12,13).
What are the key properties of 2-[(2-methyltetrazol-5-yl)methylsulfinyl]-3H-benzimidazol-5-amine?
2-[(2-methyltetrazol-5-yl)methylsulfinyl]-3H-benzimidazol-5-amine has a molecular weight of 277.31 g/mol, XLogP of -0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyltetrazol-5-yl)methylsulfinyl]-3H-benzimidazol-5-amine is sourced from PubChem (CID 107052253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).