2-(1-methyl-5-methylsulfonylbenzimidazol-2-yl)pyridin-3-amine

C14H14N4O2S — CID 104740752

IUPAC2-(1-methyl-5-methylsulfonylbenzimidazol-2-yl)pyridin-3-amine
SMILESCn1c(-c2ncccc2N)nc2cc(S(C)(=O)=O)ccc21
InChIInChI=1S/C14H14N4O2S/c1-18-12-6-5-9(21(2,19)20)8-11(12)17-14(18)13-10(15)4-3-7-16-13/h3-8H,15H2,1-2H3
InChIKeyDDGAATGQNSJMLI-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.62
Rot. Bonds2

About 2-(1-methyl-5-methylsulfonylbenzimidazol-2-yl)pyridin-3-amine

2-(1-methyl-5-methylsulfonylbenzimidazol-2-yl)pyridin-3-amine (PubChem CID 104740752) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is 2-(1-methyl-5-methylsulfonylbenzimidazol-2-yl)pyridin-3-amine.

Molecular Properties

Compound Name2-(1-methyl-5-methylsulfonylbenzimidazol-2-yl)pyridin-3-amine
PubChem CID104740752
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC Name2-(1-methyl-5-methylsulfonylbenzimidazol-2-yl)pyridin-3-amine
SMILESCn1c(-c2ncccc2N)nc2cc(S(C)(=O)=O)ccc21
InChIInChI=1S/C14H14N4O2S/c1-18-12-6-5-9(21(2,19)20)8-11(12)17-14(18)13-10(15)4-3-7-16-13/h3-8H,15H2,1-2H3
InChIKeyDDGAATGQNSJMLI-UHFFFAOYSA-N
XLogP1.62
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-5-methylsulfonylbenzimidazol-2-yl)pyridin-3-amine?
The IUPAC name of 2-(1-methyl-5-methylsulfonylbenzimidazol-2-yl)pyridin-3-amine (CID 104740752) is 2-(1-methyl-5-methylsulfonylbenzimidazol-2-yl)pyridin-3-amine.
What is the SMILES notation for 2-(1-methyl-5-methylsulfonylbenzimidazol-2-yl)pyridin-3-amine?
The canonical SMILES for 2-(1-methyl-5-methylsulfonylbenzimidazol-2-yl)pyridin-3-amine is Cn1c(-c2ncccc2N)nc2cc(S(C)(=O)=O)ccc21.
What is the InChIKey of 2-(1-methyl-5-methylsulfonylbenzimidazol-2-yl)pyridin-3-amine?
The InChIKey is DDGAATGQNSJMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c1-18-12-6-5-9(21(2,19)20)8-11(12)17-14(18)13-10(15)4-3-7-16-13/h3-8H,15H2,1-2H3.
What are the key properties of 2-(1-methyl-5-methylsulfonylbenzimidazol-2-yl)pyridin-3-amine?
2-(1-methyl-5-methylsulfonylbenzimidazol-2-yl)pyridin-3-amine has a molecular weight of 302.36 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-5-methylsulfonylbenzimidazol-2-yl)pyridin-3-amine is sourced from PubChem (CID 104740752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).