2-[(6-methyl-2-pyridinyl)methylsulfinyl]-3H-benzimidazol-5-amine

C14H14N4OS — CID 79260541

IUPAC2-[(6-methyl-2-pyridinyl)methylsulfinyl]-3H-benzimidazol-5-amine
SMILESCc1cccc(CS(=O)c2nc3ccc(N)cc3[nH]2)n1
InChIInChI=1S/C14H14N4OS/c1-9-3-2-4-11(16-9)8-20(19)14-17-12-6-5-10(15)7-13(12)18-14/h2-7H,8,15H2,1H3,(H,17,18)
InChIKeyDISSIKYYPFXPKU-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.16
Rot. Bonds3

About 2-[(6-methyl-2-pyridinyl)methylsulfinyl]-3H-benzimidazol-5-amine

2-[(6-methyl-2-pyridinyl)methylsulfinyl]-3H-benzimidazol-5-amine (PubChem CID 79260541) has the molecular formula C14H14N4OS and a molecular weight of 286.36 g/mol. Its IUPAC name is 2-[(6-methyl-2-pyridinyl)methylsulfinyl]-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-[(6-methyl-2-pyridinyl)methylsulfinyl]-3H-benzimidazol-5-amine
PubChem CID79260541
Molecular FormulaC14H14N4OS
Molecular Weight286.36 g/mol
Exact Mass286.09
IUPAC Name2-[(6-methyl-2-pyridinyl)methylsulfinyl]-3H-benzimidazol-5-amine
SMILESCc1cccc(CS(=O)c2nc3ccc(N)cc3[nH]2)n1
InChIInChI=1S/C14H14N4OS/c1-9-3-2-4-11(16-9)8-20(19)14-17-12-6-5-10(15)7-13(12)18-14/h2-7H,8,15H2,1H3,(H,17,18)
InChIKeyDISSIKYYPFXPKU-UHFFFAOYSA-N
XLogP2.16
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(2-bromophenyl)methylsulfinyl]-3H-benzimidazol-5-amine
CID 61367877
2-[(2-methyltetrazol-5-yl)methylsulfinyl]-3H-benzimidazol-5-amine
CID 107052253
2-(3,3-dimethylbutylsulfinyl)-3H-benzimidazol-5-amine
CID 54958098
3-methoxy-4-[(6-methyl-2-pyridinyl)methylsulfinyl]aniline
CID 81207770
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
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
6-tert-butyl-2-(pyridin-2-ylmethylsulfinyl)-1H-benzimidazole
CID 20518169
6-propan-2-yl-2-(pyridin-2-ylmethylsulfinyl)-1H-benzimidazole
CID 13018825

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-2-pyridinyl)methylsulfinyl]-3H-benzimidazol-5-amine?
The IUPAC name of 2-[(6-methyl-2-pyridinyl)methylsulfinyl]-3H-benzimidazol-5-amine (CID 79260541) is 2-[(6-methyl-2-pyridinyl)methylsulfinyl]-3H-benzimidazol-5-amine.
What is the SMILES notation for 2-[(6-methyl-2-pyridinyl)methylsulfinyl]-3H-benzimidazol-5-amine?
The canonical SMILES for 2-[(6-methyl-2-pyridinyl)methylsulfinyl]-3H-benzimidazol-5-amine is Cc1cccc(CS(=O)c2nc3ccc(N)cc3[nH]2)n1.
What is the InChIKey of 2-[(6-methyl-2-pyridinyl)methylsulfinyl]-3H-benzimidazol-5-amine?
The InChIKey is DISSIKYYPFXPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS/c1-9-3-2-4-11(16-9)8-20(19)14-17-12-6-5-10(15)7-13(12)18-14/h2-7H,8,15H2,1H3,(H,17,18).
What are the key properties of 2-[(6-methyl-2-pyridinyl)methylsulfinyl]-3H-benzimidazol-5-amine?
2-[(6-methyl-2-pyridinyl)methylsulfinyl]-3H-benzimidazol-5-amine has a molecular weight of 286.36 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-2-pyridinyl)methylsulfinyl]-3H-benzimidazol-5-amine is sourced from PubChem (CID 79260541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).