4-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfinyl]-3-methylpyridin-2-amine

C15H16N4OS — CID 67570388

IUPAC4-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfinyl]-3-methylpyridin-2-amine
SMILESCc1cc2nc(S(=O)c3ccnc(N)c3C)[nH]c2cc1C
InChIInChI=1S/C15H16N4OS/c1-8-6-11-12(7-9(8)2)19-15(18-11)21(20)13-4-5-17-14(16)10(13)3/h4-7H,1-3H3,(H2,16,17)(H,18,19)
InChIKeyPLJVFGSWTDAISI-UHFFFAOYSA-N
MW300.39 g/mol
LogP2.63
Rot. Bonds2

About 4-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfinyl]-3-methylpyridin-2-amine

4-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfinyl]-3-methylpyridin-2-amine (PubChem CID 67570388) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is 4-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfinyl]-3-methylpyridin-2-amine.

Molecular Properties

Compound Name4-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfinyl]-3-methylpyridin-2-amine
PubChem CID67570388
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC Name4-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfinyl]-3-methylpyridin-2-amine
SMILESCc1cc2nc(S(=O)c3ccnc(N)c3C)[nH]c2cc1C
InChIInChI=1S/C15H16N4OS/c1-8-6-11-12(7-9(8)2)19-15(18-11)21(20)13-4-5-17-14(16)10(13)3/h4-7H,1-3H3,(H2,16,17)(H,18,19)
InChIKeyPLJVFGSWTDAISI-UHFFFAOYSA-N
XLogP2.63
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfinyl]-3-methylpyridin-2-amine?
The IUPAC name of 4-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfinyl]-3-methylpyridin-2-amine (CID 67570388) is 4-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfinyl]-3-methylpyridin-2-amine.
What is the SMILES notation for 4-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfinyl]-3-methylpyridin-2-amine?
The canonical SMILES for 4-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfinyl]-3-methylpyridin-2-amine is Cc1cc2nc(S(=O)c3ccnc(N)c3C)[nH]c2cc1C.
What is the InChIKey of 4-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfinyl]-3-methylpyridin-2-amine?
The InChIKey is PLJVFGSWTDAISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c1-8-6-11-12(7-9(8)2)19-15(18-11)21(20)13-4-5-17-14(16)10(13)3/h4-7H,1-3H3,(H2,16,17)(H,18,19).
What are the key properties of 4-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfinyl]-3-methylpyridin-2-amine?
4-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfinyl]-3-methylpyridin-2-amine has a molecular weight of 300.39 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfinyl]-3-methylpyridin-2-amine is sourced from PubChem (CID 67570388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).